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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC=C3)OC

InChI

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