1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H34N4O/c1-4-25(24-14-9-6-10-15-24)28(33)32-17-11-16-31(18-19-32)27-26(21(2)29-22(3)30-27)20-23-12-7-5-8-13-23/h5-10,12-15,25H,4,11,16-20H2,1-3H3