2-[4-(2-cyanoethyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-2-[6-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CCC#N

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CCC#N

InChI

InChI=1S/C21H27N5O3/c1-14(2)20(27)24-15-4-5-16-17(13-23-18(16)12-15)19(21(28)29)26-10-8-25(9-11-26)7-3-6-22/h4-5,12-14,19,23H,3,7-11H2,1-2H3,(H,24,27)(H,28,29)