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

Systemtic Name: 3-[4-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl)amino]butyl]-1H-indole-5-carbonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OCC(CO2)NCCCCC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)OCC(CO2)NCCCCC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O2/c1-16-5-4-7-22-23(16)28-15-19(14-27-22)25-10-3-2-6-18-13-26-21-9-8-17(12-24)11-20(18)21/h4-5,7-9,11,13,19,25-26H,2-3,6,10,14-15H2,1H3