[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O/c1-18-23(17-20-9-11-22(26)12-10-20)24(28-19(2)27-18)29-13-6-14-30(16-15-29)25(31)21-7-4-3-5-8-21/h3-5,7-12H,6,13-17H2,1-2H3