1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-ethyl-indole-3-carbonitrile

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-7-ethyl-indole-3-carbonitrile Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-7-ethyl-indole-3-carbonitrile CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-ethyl-3-indolecarbonitrile IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-ethylindole-3-carbonitrile Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-7-ethyl-indole-3-carbonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H21N3O/c1-2-16-8-5-9-20-19(12-23)14-25(22(16)20)15-21(26)24-11-10-17-6-3-4-7-18(17)13-24/h3-9,14H,2,10-11,13,15H2,1H3