1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H34N4O/c1-6-21-20(17-19-11-8-7-9-12-19)22(26-18(2)25-21)27-13-10-14-28(16-15-27)23(29)24(3,4)5/h7-9,11-12H,6,10,13-17H2,1-5H3