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

Systemtic Name: 2-[(2,5-dimethoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-phenyl-ethanone Openeye Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenyl-ethanone CAS Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenylethanone IUPAC Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenylethanone Traditional Name: 2-[2,5-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-phenyl-ethanone Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N(CC(=O)C2=CC=CC=C2)C3=NCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N(CC(=O)C2=CC=CC=C2)C3=NCCCCC3

InChI

InChI=1S/C22H26N2O3/c1-26-18-12-13-21(27-2)19(15-18)24(22-11-7-4-8-14-23-22)16-20(25)17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-2H3