1-[(3-aminophenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-[(3-aminophenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[(3-aminophenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-aminophenyl)methyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-aminophenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-(3-aminobenzyl)-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC(=CC=C5)N

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC(=CC=C5)N

InChI

InChI=1S/C24H21N5O3/c25-18-3-1-2-15(8-18)12-29-23-20-7-5-19(32-13-16-10-26-14-27-11-16)9-17(20)4-6-21(23)22(28-29)24(30)31/h1-3,5,7-11,14H,4,6,12-13,25H2,(H,30,31)