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

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile Openeye Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 6-methoxy-1-oxo-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-3-carbonitrile Traditional Name: 1-keto-6-methoxy-4-phenyl-2-[2-[4-(2-pyrimidyl)piperazino]ethyl]isoquinoline-3-carbonitrile Formula: C27H26N6O2 MolecularWeight: 466.53434

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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=NC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H26N6O2/c1-35-21-8-9-22-23(18-21)25(20-6-3-2-4-7-20)24(19-28)33(26(22)34)17-14-31-12-15-32(16-13-31)27-29-10-5-11-30-27/h2-11,18H,12-17H2,1H3