4-[5-(4-azanyl-2-pyridin-3-yl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(4-azanyl-2-pyridin-3-yl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-[4-amino-2-(3-pyridyl)butanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-[4-amino-1-oxo-2-(3-pyridinyl)butyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(4-amino-2-pyridin-3-ylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-[4-amino-2-(3-pyridyl)butanoyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C(CCN)C3=CN=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=C(CN1C(=O)C(CCN)C3=CN=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H21N5O3/c22-8-7-16(15-2-1-9-23-10-15)20(27)26-11-17-18(12-26)24-25-19(17)13-3-5-14(6-4-13)21(28)29/h1-6,9-10,16H,7-8,11-12,22H2,(H,24,25)(H,28,29)