(4-chloranylpyridin-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranylpyridin-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-2-pyridyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-2-pyridinyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloropyridin-2-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-2-pyridyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O/c1-15-3-5-16(6-4-15)14-22-9-2-10-23(12-11-22)19(24)18-13-17(20)7-8-21-18/h3-8,13H,2,9-12,14H2,1H3