N-(4-fluorophenyl)-2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-2-phenyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-2-phenylacetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-phenylacetamide Traditional Name: N-(4-fluorophenyl)-2-(4-m-toluoyl-1,4-diazepan-1-yl)-2-phenyl-acetamide Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O2/c1-20-7-5-10-22(19-20)27(33)31-16-6-15-30(17-18-31)25(21-8-3-2-4-9-21)26(32)29-24-13-11-23(28)12-14-24/h2-5,7-14,19,25H,6,15-18H2,1H3,(H,29,32)