N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCCCC3)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCCCC3)C4=CC=CS4

InChI

InChI=1S/C24H31N3O2S/c1-26-22(20-12-8-17-30-20)21(18-10-4-5-11-19(18)24(26)29)23(28)25-13-9-16-27-14-6-2-3-7-15-27/h4-5,8,10-12,17,21-22H,2-3,6-7,9,13-16H2,1H3,(H,25,28)