(4-chloranyl-2-methyl-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C20H24ClN3O/c1-15-13-17(21)7-8-19(15)20(25)24-10-4-9-23(11-12-24)14-18-6-3-5-16(2)22-18/h3,5-8,13H,4,9-12,14H2,1-2H3