1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-3-prop-2-enyl-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-3-prop-2-enyl-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide Openeye Name: 3-allyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-[3-(4-pyridyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide CAS Name: 1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-3-prop-2-enyl-N-(3-pyridin-4-yl-1H-indazol-5-yl)-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-3-prop-2-enyl-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide Traditional Name: 3-allyl-1-[2-keto-2-[4-[4-(2-pyrimidyl)phenyl]piperazino]ethyl]-N-[3-(4-pyridyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide Formula: C36H37N9O2 MolecularWeight: 627.73808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCN(C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NC=CC=N4)C(=O)NC5=CC6=C(C=C5)NN=C6C7=CC=NC=C7

Isomeric SMILES

C=CCC1(CCN(C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NC=CC=N4)C(=O)NC5=CC6=C(C=C5)NN=C6C7=CC=NC=C7

InChI

InChI=1S/C36H37N9O2/c1-2-12-36(35(47)40-28-6-9-31-30(23-28)33(42-41-31)26-10-16-37-17-11-26)13-18-43(25-36)24-32(46)45-21-19-44(20-22-45)29-7-4-27(5-8-29)34-38-14-3-15-39-34/h2-11,14-17,23H,1,12-13,18-22,24-25H2,(H,40,47)(H,41,42)