(2-methylphenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(o-tolyl)methanone Formula: C31H32N4O MolecularWeight: 476.61198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O/c1-23-12-9-10-17-27(23)31(36)35-19-11-18-34(20-21-35)30-28(22-25-13-5-3-6-14-25)24(2)32-29(33-30)26-15-7-4-8-16-26/h3-10,12-17H,11,18-22H2,1-2H3