2-methyl-1-oxidanylidene-4-phenyl-6-(2-piperidin-1-ylethoxy)isoquinoline-3-carbonitrile

Systemtic Name: 2-methyl-1-oxidanylidene-4-phenyl-6-(2-piperidin-1-ylethoxy)isoquinoline-3-carbonitrile Openeye Name: 2-methyl-1-oxo-4-phenyl-6-[2-(1-piperidyl)ethoxy]isoquinoline-3-carbonitrile CAS Name: 2-methyl-1-oxo-4-phenyl-6-[2-(1-piperidinyl)ethoxy]-3-isoquinolinecarbonitrile IUPAC Name: 2-methyl-1-oxo-4-phenyl-6-(2-piperidin-1-ylethoxy)isoquinoline-3-carbonitrile Traditional Name: 1-keto-2-methyl-4-phenyl-6-(2-piperidinoethoxy)isoquinoline-3-carbonitrile Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCCN3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OCCN3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H25N3O2/c1-26-22(17-25)23(18-8-4-2-5-9-18)21-16-19(10-11-20(21)24(26)28)29-15-14-27-12-6-3-7-13-27/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3