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

Systemtic Name: cyclobutyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone CAS Name: cyclobutyl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutylmethanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclobutyl-methanone Formula: C24H32N4O MolecularWeight: 392.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-3-22-21(17-19-9-5-4-6-10-19)23(26-18(2)25-22)27-13-8-14-28(16-15-27)24(29)20-11-7-12-20/h4-6,9-10,20H,3,7-8,11-17H2,1-2H3