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

Systemtic Name: 5-bromanyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]indole-3-carbonitrile Openeye Name: 5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]indole-3-carbonitrile CAS Name: 5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-indolecarbonitrile IUPAC Name: 5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbonitrile Traditional Name: 5-bromo-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]indole-3-carbonitrile Formula: C20H16BrN3O MolecularWeight: 394.26454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N

InChI

InChI=1S/C20H16BrN3O/c21-17-5-6-19-18(9-17)16(10-22)12-24(19)13-20(25)23-8-7-14-3-1-2-4-15(14)11-23/h1-6,9,12H,7-8,11,13H2