2-(1-azanylisoquinolin-7-yl)-5-methyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)pyrazole-3-carboxamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-5-methyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)pyrazole-3-carboxamide Openeye Name: 2-(1-amino-7-isoquinolyl)-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(1-amino-7-isoquinolinyl)-5-methyl-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(1-amino-7-isoquinolyl)-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C25H24N6O2/c1-16-14-22(31(29-16)20-9-6-17-10-11-27-23(26)21(17)15-20)24(32)28-19-7-4-18(5-8-19)25(33)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,26,27)(H,28,32)