3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(CO2)NCCCCC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC2=C1OCC(CO2)NCCCCC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O3/c1-27-21-6-4-7-22-23(21)29-15-18(14-28-22)25-10-3-2-5-17-13-26-20-9-8-16(12-24)11-19(17)20/h4,6-9,11,13,18,25-26H,2-3,5,10,14-15H2,1H3