1-(azepan-1-yl)-2-[(3-chloranyl-4-methyl-phenyl)amino]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[(3-chloranyl-4-methyl-phenyl)amino]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(3-chloro-4-methyl-anilino)propan-1-one CAS Name: 1-(1-azepanyl)-2-(3-chloro-4-methylanilino)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(3-chloro-4-methylanilino)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(3-chloro-4-methyl-anilino)propan-1-one Formula: C16H23ClN2O MolecularWeight: 294.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(C)C(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C16H23ClN2O/c1-12-7-8-14(11-15(12)17)18-13(2)16(20)19-9-5-3-4-6-10-19/h7-8,11,13,18H,3-6,9-10H2,1-2H3