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

Systemtic Name: N-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-[(2-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: N-[6-(4-o-toluoyl-1,4-diazepan-1-yl)-3-pyridyl]-2-phenoxy-acetamide 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)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-20-8-5-6-11-23(20)26(32)30-15-7-14-29(16-17-30)24-13-12-21(18-27-24)28-25(31)19-33-22-9-3-2-4-10-22/h2-6,8-13,18H,7,14-17,19H2,1H3,(H,28,31)