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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-methyl-indole-3-carbonitrile Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-methyl-indole-3-carbonitrile CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methyl-3-indolecarbonitrile IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylindole-3-carbonitrile Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-methyl-indole-3-carbonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)N3CCC4=CC=CC=C4C3)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)N3CCC4=CC=CC=C4C3)C#N

InChI

InChI=1S/C21H19N3O/c1-15-19(12-22)18-8-4-5-9-20(18)24(15)14-21(25)23-11-10-16-6-2-3-7-17(16)13-23/h2-9H,10-11,13-14H2,1H3