N-[6-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide

Systemtic Name: N-[6-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide Openeye Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide CAS Name: N-[6-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methoxybenzamide IUPAC Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxybenzamide Traditional Name: N-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H25ClN4O3/c1-33-22-8-3-5-18(16-22)24(31)28-21-9-10-23(27-17-21)29-11-4-12-30(14-13-29)25(32)19-6-2-7-20(26)15-19/h2-3,5-10,15-17H,4,11-14H2,1H3,(H,28,31)