4-[(2E)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxidanylidenemethylidene)-N-phenyl-2-(1,2,4-triazol-1-yl)cyclohexa-1,5-diene-1-carboxamide hydrochloride

Systemtic Name: 4-[(2E)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxidanylidene-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxidanylidenemethylidene)-N-phenyl-2-(1,2,4-triazol-1-yl)cyclohexa-1,5-diene-1-carboxamide hydrochloride Openeye Name: 4-[(2E)-2-[2-[4-(dimethylamino)-1-piperidyl]-2-oxo-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxomethylene)-N-phenyl-2-(1,2,4-triazol-1-yl)cyclohexa-1,5-diene-1-carboxamide hydrochloride CAS Name: 4-[(2E)-2-[2-[4-(dimethylamino)-1-piperidinyl]-2-oxoethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxomethylidene)-N-phenyl-2-(1,2,4-triazol-1-yl)-1-cyclohexa-1,5-dienecarboxamide hydrochloride IUPAC Name: 4-[(2E)-2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxomethylidene)-N-phenyl-2-(1,2,4-triazol-1-yl)cyclohexa-1,5-diene-1-carboxamide hydrochloride Traditional Name: 4-[(2E)-2-[2-[4-(dimethylamino)piperidino]-2-keto-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(ketomethylene)-N-phenyl-2-(1,2,4-triazol-1-yl)cyclohexa-1,5-diene-1-carboxamide hydrochloride Formula: C35H38ClN7O3 MolecularWeight: 640.17432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C(=O)C=C2CCCC3=CC=CC=C3N2C4C=CC(=C(C4=C=O)N5C=NC=N5)C(=O)NC6=CC=CC=C6.Cl

Isomeric SMILES

CN(C)C1CCN(CC1)C(=O)/C=C/2\CCCC3=CC=CC=C3N2C4C=CC(=C(C4=C=O)N5C=NC=N5)C(=O)NC6=CC=CC=C6.Cl

InChI

InChI=1S/C35H37N7O3.ClH/c1-39(2)27-17-19-40(20-18-27)33(44)21-28-13-8-10-25-9-6-7-14-31(25)42(28)32-16-15-29(35(45)38-26-11-4-3-5-12-26)34(30(32)22-43)41-24-36-23-37-41;/h3-7,9,11-12,14-16,21,23-24,27,32H,8,10,13,17-20H2,1-2H3,(H,38,45);1H/b28-21+;