N-butan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide

Systemtic Name: N-butan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide Openeye Name: 4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-N-sec-butyl-quinoline-7-carboxamide CAS Name: N-butan-2-yl-4-[2-(2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-7-quinolinecarboxamide IUPAC Name: N-butan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide Traditional Name: 4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-N-sec-butyl-quinoline-7-carboxamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=NC=CC(=C2C=C1)C3=C4CCCN4N=C3C5=CC=CC=N5

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=NC=CC(=C2C=C1)C3=C4CCCN4N=C3C5=CC=CC=N5

InChI

InChI=1S/C25H25N5O/c1-3-16(2)28-25(31)17-9-10-18-19(11-13-27-21(18)15-17)23-22-8-6-14-30(22)29-24(23)20-7-4-5-12-26-20/h4-5,7,9-13,15-16H,3,6,8,14H2,1-2H3,(H,28,31)