4-[3-[4-(3-azanylpropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid

Systemtic Name: 4-[3-[4-(3-azanylpropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid Openeye Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid CAS Name: 4-[3-[4-[(3-aminopropylamino)-oxomethyl]phenyl]-1-indazolyl]benzoic acid IUPAC Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid Traditional Name: 4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)NCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)NCCCN

InChI

InChI=1S/C24H22N4O3/c25-14-3-15-26-23(29)17-8-6-16(7-9-17)22-20-4-1-2-5-21(20)28(27-22)19-12-10-18(11-13-19)24(30)31/h1-2,4-13H,3,14-15,25H2,(H,26,29)(H,30,31)