[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c1-4-25-24(18-21-10-6-5-7-11-21)26(29-20(2)28-25)30-14-9-15-31(17-16-30)27(32)22-12-8-13-23(19-22)33-3/h5-8,10-13,19H,4,9,14-18H2,1-3H3