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

Systemtic Name: 2-[(4-chlorophenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)N(CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(=NCC1)N(CC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O3/c23-17-6-8-18(9-7-17)25(22-4-2-1-3-11-24-22)15-19(26)16-5-10-20-21(14-16)28-13-12-27-20/h5-10,14H,1-4,11-13,15H2