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

Systemtic Name: 3-chloranyl-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]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-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]-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethyl-propan-1-one Formula: C24H33ClN4O MolecularWeight: 428.99802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN4O/c1-5-21-20(16-19-10-7-6-8-11-19)22(27-18(2)26-21)28-12-9-13-29(15-14-28)23(30)24(3,4)17-25/h6-8,10-11H,5,9,12-17H2,1-4H3