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

Systemtic Name: 2-[(4-chlorophenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-phenyl-ethanone Openeye Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenyl-ethanone CAS Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenylethanone IUPAC Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenylethanone Traditional Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenyl-ethanone Formula: C20H21ClN2O MolecularWeight: 340.84654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=NCC1)N(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O/c21-17-10-12-18(13-11-17)23(20-9-5-2-6-14-22-20)15-19(24)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2