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

Systemtic Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H36N4O3/c1-4-27-26(19-23-11-13-25(35-3)14-12-23)29(31-22(2)30-27)33-16-8-15-32(17-18-33)28(34)21-36-20-24-9-6-5-7-10-24/h5-7,9-14H,4,8,15-21H2,1-3H3