2-[(4-chlorophenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[(4-chlorophenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-methylphenyl)ethanone Openeye Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(p-tolyl)ethanone CAS Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methylphenyl)ethanone Traditional Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(p-tolyl)ethanone Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O/c1-16-6-8-17(9-7-16)20(25)15-24(19-12-10-18(22)11-13-19)21-5-3-2-4-14-23-21/h6-13H,2-5,14-15H2,1H3