[2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]-phenyl-methanone

Systemtic Name: [2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]-phenyl-methanone Openeye Name: phenyl-[2-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methanone CAS Name: [2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]phenyl]-phenyl-methanone Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-21-12-14-22(15-13-21)20-28-16-7-17-29(19-18-28)27(31)25-11-6-5-10-24(25)26(30)23-8-3-2-4-9-23/h2-6,8-15H,7,16-20H2,1H3