N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyrazine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyrazine-2-carboxamide Openeye Name: N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyrazine-2-carboxamide CAS Name: N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-pyrazinecarboxamide IUPAC Name: N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyrazine-2-carboxamide Traditional Name: N-(cyanomethyl)-5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyrazinamide Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)CC4=NC=C(N=C4)C(=O)NCC#N

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)CC4=NC=C(N=C4)C(=O)NCC#N

InChI

InChI=1S/C22H25N5O/c23-8-9-24-22(28)21-15-25-19(14-26-21)13-16-4-5-17-6-10-27(20-2-1-3-20)11-7-18(17)12-16/h4-5,12,14-15,20H,1-3,6-7,9-11,13H2,(H,24,28)