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

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-ethylphenyl)methanone Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

InChI

InChI=1S/C28H34N4O/c1-4-22-12-14-24(15-13-22)28(33)32-17-9-16-31(18-19-32)27-25(20-23-10-7-6-8-11-23)26(5-2)29-21(3)30-27/h6-8,10-15H,4-5,9,16-20H2,1-3H3