1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C31H32N4O MolecularWeight: 476.61198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O/c1-24-28(22-25-12-5-2-6-13-25)31(33-30(32-24)27-16-9-4-10-17-27)35-19-11-18-34(20-21-35)29(36)23-26-14-7-3-8-15-26/h2-10,12-17H,11,18-23H2,1H3