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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]pentan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]pentan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C24H34N4O/c1-5-6-8-23(29)27-13-7-14-28(16-15-27)24-22(19(3)25-20(4)26-24)17-21-11-9-18(2)10-12-21/h9-12H,5-8,13-17H2,1-4H3