4-[5-methyl-1,3-bis(oxidanylidene)-4,4-dipyridin-4-yl-2-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)isoquinolin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)-4,4-dipyridin-4-yl-2-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)isoquinolin-7-yl]benzenecarbonitrile Openeye Name: 4-[5-methyl-1,3-dioxo-4,4-bis(4-pyridyl)-2-[1-(2-thienylsulfonyl)pyrrolidin-3-yl]-7-isoquinolyl]benzonitrile CAS Name: 4-[5-methyl-1,3-dioxo-4,4-dipyridin-4-yl-2-(1-thiophen-2-ylsulfonyl-3-pyrrolidinyl)-7-isoquinolinyl]benzonitrile IUPAC Name: 4-[5-methyl-1,3-dioxo-4,4-dipyridin-4-yl-2-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)isoquinolin-7-yl]benzonitrile Traditional Name: 4-[1,3-diketo-5-methyl-4,4-bis(4-pyridyl)-2-[1-(2-thienylsulfonyl)pyrrolidin-3-yl]-7-isoquinolyl]benzonitrile Formula: C35H27N5O4S2 MolecularWeight: 645.74998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(C(=O)N(C2=O)C3CCN(C3)S(=O)(=O)C4=CC=CS4)(C5=CC=NC=C5)C6=CC=NC=C6)C7=CC=C(C=C7)C#N

Isomeric SMILES

CC1=CC(=CC2=C1C(C(=O)N(C2=O)C3CCN(C3)S(=O)(=O)C4=CC=CS4)(C5=CC=NC=C5)C6=CC=NC=C6)C7=CC=C(C=C7)C#N

InChI

InChI=1S/C35H27N5O4S2/c1-23-19-26(25-6-4-24(21-36)5-7-25)20-30-32(23)35(27-8-13-37-14-9-27,28-10-15-38-16-11-28)34(42)40(33(30)41)29-12-17-39(22-29)46(43,44)31-3-2-18-45-31/h2-11,13-16,18-20,29H,12,17,22H2,1H3