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

Systemtic Name: 3-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-chloro-2,2-dimethyl-propan-1-one Formula: C23H31ClN4O MolecularWeight: 414.97144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C)(C)CCl)CC3=CC=CC=C3

InChI

InChI=1S/C23H31ClN4O/c1-17-20(15-19-9-6-5-7-10-19)21(26-18(2)25-17)27-11-8-12-28(14-13-27)22(29)23(3,4)16-24/h5-7,9-10H,8,11-16H2,1-4H3