5-bromanyl-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[(3R)-5-keto-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C=C(C=C2)N3CC(CC3=O)NC(=O)C4=CC=C(S4)Br

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)N3C[C@@H](CC3=O)NC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-23-8-6-13-2-3-16(10-14(13)7-9-23)24-12-15(11-19(24)25)22-20(26)17-4-5-18(21)27-17/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,26)/t15-/m1/s1