(5-chloranyl-2-oxidanyl-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-chloro-2-hydroxy-phenyl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-chloro-2-hydroxyphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-chloro-2-hydroxyphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-chloro-2-hydroxy-phenyl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C20H23ClN2O2/c1-15-5-2-3-6-16(15)14-22-9-4-10-23(12-11-22)20(25)18-13-17(21)7-8-19(18)24/h2-3,5-8,13,24H,4,9-12,14H2,1H3