N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-4-carboxamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-4-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-[2-(3-thienyl)ethoxy]phenyl]methyl]pyridine-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-N-[[3-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-N-[3-[2-(3-thienyl)ethoxy]benzyl]isonicotinamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OCCC3=CSC=C3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H27N3O3S/c29-24-23(6-1-2-11-27-24)28(25(30)21-7-12-26-13-8-21)17-20-4-3-5-22(16-20)31-14-9-19-10-15-32-18-19/h3-5,7-8,10,12-13,15-16,18,23H,1-2,6,9,11,14,17H2,(H,27,29)/t23-/m0/s1