5-[[5-cyano-2-(2-diethylaminoethylcarbamoylamino)pyridin-4-yl]amino]indole-1-carboxylic acid

Systemtic Name: 5-[[5-cyano-2-(2-diethylaminoethylcarbamoylamino)pyridin-4-yl]amino]indole-1-carboxylic acid Openeye Name: 5-[[5-cyano-2-(2-diethylaminoethylcarbamoylamino)-4-pyridyl]amino]indole-1-carboxylic acid CAS Name: 5-[[5-cyano-2-[[(2-diethylaminoethylamino)-oxomethyl]amino]-4-pyridinyl]amino]-1-indolecarboxylic acid IUPAC Name: 5-[[5-cyano-2-(2-diethylaminoethylcarbamoylamino)pyridin-4-yl]amino]indole-1-carboxylic acid Traditional Name: 5-[[5-cyano-2-(2-diethylaminoethylcarbamoylamino)-4-pyridyl]amino]indole-1-carboxylic acid Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O3/c1-3-28(4-2)10-8-24-21(30)27-20-12-18(16(13-23)14-25-20)26-17-5-6-19-15(11-17)7-9-29(19)22(31)32/h5-7,9,11-12,14H,3-4,8,10H2,1-2H3,(H,31,32)(H3,24,25,26,27,30)