2-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone

Systemtic Name: 2-chloranyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloro-2-phenyl-ethanone CAS Name: 2-chloro-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloro-2-phenylethanone Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloro-2-phenyl-ethanone Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C3=CC=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C(C3=CC=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H29ClN4O/c1-19-23(18-21-10-5-3-6-11-21)25(29-20(2)28-19)30-14-9-15-31(17-16-30)26(32)24(27)22-12-7-4-8-13-22/h3-8,10-13,24H,9,14-18H2,1-2H3