2-(4-chloranylphenoxy)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C27H31ClN4O2/c1-19-5-7-22(8-6-19)17-25-20(2)29-21(3)30-27(25)32-14-4-13-31(15-16-32)26(33)18-34-24-11-9-23(28)10-12-24/h5-12H,4,13-18H2,1-3H3