2-(4-methylphenyl)-5-[4-oxidanylidene-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-3-yl]oxy-benzenecarbonitrile

Systemtic Name: 2-(4-methylphenyl)-5-[4-oxidanylidene-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-3-yl]oxy-benzenecarbonitrile Openeye Name: 5-[4-oxo-2-[4-[4-(2-pyridyl)piperazin-1-yl]phenyl]chromen-3-yl]oxy-2-(p-tolyl)benzonitrile CAS Name: 2-(4-methylphenyl)-5-[[4-oxo-2-[4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-1-benzopyran-3-yl]oxy]benzonitrile IUPAC Name: 2-(4-methylphenyl)-5-[4-oxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-3-yl]oxybenzonitrile Traditional Name: 5-[4-keto-2-[4-[4-(2-pyridyl)piperazino]phenyl]chromen-3-yl]oxy-2-(p-tolyl)benzonitrile Formula: C38H30N4O3 MolecularWeight: 590.6698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)N6CCN(CC6)C7=CC=CC=N7)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)N6CCN(CC6)C7=CC=CC=N7)C#N

InChI

InChI=1S/C38H30N4O3/c1-26-9-11-27(12-10-26)32-18-17-31(24-29(32)25-39)44-38-36(43)33-6-2-3-7-34(33)45-37(38)28-13-15-30(16-14-28)41-20-22-42(23-21-41)35-8-4-5-19-40-35/h2-19,24H,20-23H2,1H3