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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C28H33ClN4O MolecularWeight: 477.04082

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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)CC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN4O/c1-20(2)18-26(34)32-14-7-15-33(17-16-32)28-25(19-22-10-12-24(29)13-11-22)21(3)30-27(31-28)23-8-5-4-6-9-23/h4-6,8-13,20H,7,14-19H2,1-3H3