N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]nicotinamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H24N4O2S/c28-22(19-6-2-9-24-16-19)25-20-7-1-5-18(15-20)23(29)27-11-4-10-26(12-13-27)17-21-8-3-14-30-21/h1-3,5-9,14-16H,4,10-13,17H2,(H,25,28)