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

Systemtic Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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