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

Systemtic Name: cyclopentyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopentyl-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopentyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopentyl-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopentyl-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCC3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C26H36N4O/c1-4-24-23(18-21-12-10-19(2)11-13-21)25(28-20(3)27-24)29-14-7-15-30(17-16-29)26(31)22-8-5-6-9-22/h10-13,22H,4-9,14-18H2,1-3H3