3,3-dimethyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 1-[4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O/c1-22-25(20-23-12-7-5-8-13-23)28(31-27(30-22)24-14-9-6-10-15-24)33-17-11-16-32(18-19-33)26(34)21-29(2,3)4/h5-10,12-15H,11,16-21H2,1-4H3