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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-heptanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]heptan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O/c1-5-7-8-9-11-26(32)30-16-10-17-31(19-18-30)27-24(25(6-2)28-22(4)29-27)20-23-14-12-21(3)13-15-23/h12-15H,5-11,16-20H2,1-4H3