4-[1,3-bis(oxidanylidene)-4,4-bis(pyridin-4-ylmethyl)-2-pyrrolidin-3-yl-isoquinolin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[1,3-bis(oxidanylidene)-4,4-bis(pyridin-4-ylmethyl)-2-pyrrolidin-3-yl-isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[1,3-dioxo-4,4-bis(4-pyridylmethyl)-2-pyrrolidin-3-yl-7-isoquinolyl]benzonitrile CAS Name: 4-[1,3-dioxo-4,4-bis(pyridin-4-ylmethyl)-2-(3-pyrrolidinyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[1,3-dioxo-4,4-bis(pyridin-4-ylmethyl)-2-pyrrolidin-3-ylisoquinolin-7-yl]benzonitrile Traditional Name: 4-[1,3-diketo-4,4-bis(4-pyridylmethyl)-2-pyrrolidin-3-yl-7-isoquinolyl]benzonitrile Formula: C32H27N5O2 MolecularWeight: 513.58908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N2C(=O)C3=C(C=CC(=C3)C4=CC=C(C=C4)C#N)C(C2=O)(CC5=CC=NC=C5)CC6=CC=NC=C6

Isomeric SMILES

C1CNCC1N2C(=O)C3=C(C=CC(=C3)C4=CC=C(C=C4)C#N)C(C2=O)(CC5=CC=NC=C5)CC6=CC=NC=C6

InChI

InChI=1S/C32H27N5O2/c33-20-24-1-3-25(4-2-24)26-5-6-29-28(17-26)30(38)37(27-11-16-36-21-27)31(39)32(29,18-22-7-12-34-13-8-22)19-23-9-14-35-15-10-23/h1-10,12-15,17,27,36H,11,16,18-19,21H2