N-(2-oxidanylideneazepan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-(2-oxo-3-azepanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-(2-oxoazepan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2CC3=CC=CC=C3CN2

InChI

InChI=1S/C16H21N3O2/c20-15-13(7-3-4-8-17-15)19-16(21)14-9-11-5-1-2-6-12(11)10-18-14/h1-2,5-6,13-14,18H,3-4,7-10H2,(H,17,20)(H,19,21)