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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O/c1-5-26(25-11-8-7-9-12-25)30(35)34-18-10-17-33(19-20-34)29-27(28(6-2)31-23(4)32-29)21-24-15-13-22(3)14-16-24/h7-9,11-16,26H,5-6,10,17-21H2,1-4H3