5-[[2-[3-(diethylamino)propylcarbamoylamino]pyridin-4-yl]amino]indole-1-carboxylic acid

Systemtic Name: 5-[[2-[3-(diethylamino)propylcarbamoylamino]pyridin-4-yl]amino]indole-1-carboxylic acid Openeye Name: 5-[[2-[3-(diethylamino)propylcarbamoylamino]-4-pyridyl]amino]indole-1-carboxylic acid CAS Name: 5-[[2-[[[3-(diethylamino)propylamino]-oxomethyl]amino]-4-pyridinyl]amino]-1-indolecarboxylic acid IUPAC Name: 5-[[2-[3-(diethylamino)propylcarbamoylamino]pyridin-4-yl]amino]indole-1-carboxylic acid Traditional Name: 5-[[2-[3-(diethylamino)propylcarbamoylamino]-4-pyridyl]amino]indole-1-carboxylic acid Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)NC1=NC=CC(=C1)NC2=CC3=C(C=C2)N(C=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCCNC(=O)NC1=NC=CC(=C1)NC2=CC3=C(C=C2)N(C=C3)C(=O)O

InChI

InChI=1S/C22H28N6O3/c1-3-27(4-2)12-5-10-24-21(29)26-20-15-18(8-11-23-20)25-17-6-7-19-16(14-17)9-13-28(19)22(30)31/h6-9,11,13-15H,3-5,10,12H2,1-2H3,(H,30,31)(H3,23,24,25,26,29)