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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H36N4O/c1-4-27-26(21-25-13-11-22(2)12-14-25)29(31-23(3)30-27)33-18-8-17-32(19-20-33)28(34)16-15-24-9-6-5-7-10-24/h5-7,9-14H,4,8,15-21H2,1-3H3