N-[6-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[6-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide CAS Name: N-[6-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O2S/c24-18-5-1-4-17(14-18)23(30)28-10-3-9-27(11-12-28)21-8-7-19(16-25-21)26-22(29)15-20-6-2-13-31-20/h1-2,4-8,13-14,16H,3,9-12,15H2,(H,26,29)