(3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: (3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: (3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: (3,4-dichlorophenyl)-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C26H28Cl2N4O MolecularWeight: 483.43272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)C)C

InChI

InChI=1S/C26H28Cl2N4O/c1-17-5-7-20(8-6-17)15-22-18(2)29-19(3)30-25(22)31-11-4-12-32(14-13-31)26(33)21-9-10-23(27)24(28)16-21/h5-10,16H,4,11-15H2,1-3H3