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

Systemtic Name: [4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-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)CC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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