N-(3-chloranyl-4-methyl-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(4-fluorobenzyl)-1,4-diazepane-1-carboxamide Formula: C20H23ClFN3O MolecularWeight: 375.867523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O/c1-15-3-8-18(13-19(15)21)23-20(26)25-10-2-9-24(11-12-25)14-16-4-6-17(22)7-5-16/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)