5-[2-oxidanylidene-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]pentanenitrile

Systemtic Name: 5-[2-oxidanylidene-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]pentanenitrile Openeye Name: 5-[2-oxo-1-phenyl-3-(pyrimidin-4-ylmethyl)indolin-3-yl]pentanenitrile CAS Name: 5-[2-oxo-1-phenyl-3-(4-pyrimidinylmethyl)-3-indolyl]pentanenitrile IUPAC Name: 5-[2-oxo-1-phenyl-3-(pyrimidin-4-ylmethyl)indol-3-yl]pentanenitrile Traditional Name: 5-[2-keto-1-phenyl-3-(4-pyrimidylmethyl)indolin-3-yl]valeronitrile Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CCCCC#N)CC4=NC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CCCCC#N)CC4=NC=NC=C4

InChI

InChI=1S/C24H22N4O/c25-15-8-2-7-14-24(17-19-13-16-26-18-27-19)21-11-5-6-12-22(21)28(23(24)29)20-9-3-1-4-10-20/h1,3-6,9-13,16,18H,2,7-8,14,17H2