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

Systemtic Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C27H38N4O MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CCC4CCCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CCC4CCCC4)C)C

InChI

InChI=1S/C27H38N4O/c1-20-9-11-24(12-10-20)19-25-21(2)28-22(3)29-27(25)31-16-6-15-30(17-18-31)26(32)14-13-23-7-4-5-8-23/h9-12,23H,4-8,13-19H2,1-3H3