[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopentyl-methanone

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopentyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopentyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-cyclopentylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopentylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclopentyl-methanone Formula: C29H33ClN4O MolecularWeight: 489.05152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCCC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCCC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H33ClN4O/c1-21-26(20-22-12-14-25(30)15-13-22)28(32-27(31-21)23-8-3-2-4-9-23)33-16-7-17-34(19-18-33)29(35)24-10-5-6-11-24/h2-4,8-9,12-15,24H,5-7,10-11,16-20H2,1H3