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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN4O/c1-20-25(19-23-9-12-24(28)13-10-23)27(30-21(2)29-20)32-16-6-15-31(17-18-32)26(33)14-11-22-7-4-3-5-8-22/h3-5,7-10,12-13H,6,11,14-19H2,1-2H3