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

Systemtic Name: (4-methylphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylphenyl)-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: [4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c1-19(2)24-21(4)28-25(22-9-6-5-7-10-22)29-26(24)30-15-8-16-31(18-17-30)27(32)23-13-11-20(3)12-14-23/h5-7,9-14,19H,8,15-18H2,1-4H3