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

Systemtic Name: N-[6-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

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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)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O3/c26-20-7-4-6-19(16-20)25(32)30-13-5-12-29(14-15-30)23-11-10-21(17-27-23)28-24(31)18-33-22-8-2-1-3-9-22/h1-4,6-11,16-17H,5,12-15,18H2,(H,28,31)