6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile Traditional Name: 1-keto-6-methoxy-4-phenyl-2-[2-(4-phenylpiperazino)ethyl]isoquinoline-3-carbonitrile Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c1-35-24-12-13-25-26(20-24)28(22-8-4-2-5-9-22)27(21-30)33(29(25)34)19-16-31-14-17-32(18-15-31)23-10-6-3-7-11-23/h2-13,20H,14-19H2,1H3