(4-chloranyl-2-methyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone Formula: C18H23ClN4O MolecularWeight: 346.85442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C18H23ClN4O/c1-14-12-15(19)4-5-16(14)18(24)23-8-3-7-22(10-11-23)13-17-20-6-9-21(17)2/h4-6,9,12H,3,7-8,10-11,13H2,1-2H3