3-methoxy-N-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-methoxy-N-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-methoxy-N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-methoxy-N-[6-[4-[(2-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-methoxy-N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-methoxy-N-[6-(4-o-toluoyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H28N4O3/c1-19-7-3-4-10-23(19)26(32)30-14-6-13-29(15-16-30)24-12-11-21(18-27-24)28-25(31)20-8-5-9-22(17-20)33-2/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,28,31)