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

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-cyclobutylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutyl-methanone Formula: C28H31ClN4O MolecularWeight: 475.02494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4O/c1-20-25(19-21-11-13-24(29)14-12-21)27(31-26(30-20)22-7-3-2-4-8-22)32-15-6-16-33(18-17-32)28(34)23-9-5-10-23/h2-4,7-8,11-14,23H,5-6,9-10,15-19H2,1H3