3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-1H-indole-7-carbonitrile

Systemtic Name: 3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-4-methoxy-1H-indole-7-carbonitrile Openeye Name: 3-[2-[4-(1-isoquinolyl)piperazin-1-yl]-2-oxo-acetyl]-4-methoxy-1H-indole-7-carbonitrile CAS Name: 3-[2-[4-(1-isoquinolinyl)-1-piperazinyl]-1,2-dioxoethyl]-4-methoxy-1H-indole-7-carbonitrile IUPAC Name: 3-[2-(4-isoquinolin-1-ylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carbonitrile Traditional Name: 3-[2-[4-(1-isoquinolyl)piperazino]-2-keto-acetyl]-4-methoxy-1H-indole-7-carbonitrile Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CNC2=C(C=C1)C#N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C2C(=CNC2=C(C=C1)C#N)C(=O)C(=O)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N5O3/c1-33-20-7-6-17(14-26)22-21(20)19(15-28-22)23(31)25(32)30-12-10-29(11-13-30)24-18-5-3-2-4-16(18)8-9-27-24/h2-9,15,28H,10-13H2,1H3