1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H34N4O/c1-21-10-12-25(13-11-21)20-26-22(2)29-23(3)30-28(26)32-17-7-16-31(18-19-32)27(33)15-14-24-8-5-4-6-9-24/h4-6,8-13H,7,14-20H2,1-3H3