2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazino]-2-[5-(isobutyrylamino)-1H-indol-3-yl]acetic acid Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C24H26N6O3/c1-15(2)23(31)28-17-5-6-20-18(12-17)19(14-27-20)21(24(32)33)29-8-10-30(11-9-29)22-16(13-25)4-3-7-26-22/h3-7,12,14-15,21,27H,8-11H2,1-2H3,(H,28,31)(H,32,33)