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

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(2-phenylcyclopropyl)methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-phenylcyclopropyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-(2-phenylcyclopropyl)methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-phenylcyclopropyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-phenylcyclopropyl)methanone Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CC3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O/c1-3-27-26(19-22-11-6-4-7-12-22)28(31-21(2)30-27)32-15-10-16-33(18-17-32)29(34)25-20-24(25)23-13-8-5-9-14-23/h4-9,11-14,24-25H,3,10,15-20H2,1-2H3