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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C13H18ClN3O MolecularWeight: 267.75452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCNCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCNCC2)Cl

InChI

InChI=1S/C13H18ClN3O/c1-10-3-4-11(9-12(10)14)16-13(18)17-7-2-5-15-6-8-17/h3-4,9,15H,2,5-8H2,1H3,(H,16,18)