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

Systemtic Name: 2-methyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O/c1-20(2)27(32)31-16-10-15-30(17-18-31)26-24(19-22-11-6-4-7-12-22)21(3)28-25(29-26)23-13-8-5-9-14-23/h4-9,11-14,20H,10,15-19H2,1-3H3