3-(7aH-indol-3-yl)-2-[[5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]amino]propanoic acid

Systemtic Name: 3-(7aH-indol-3-yl)-2-[[5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]amino]propanoic acid Openeye Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-(7aH-indol-3-yl)propanoic acid CAS Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-(7aH-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-(7aH-indol-3-yl)propanoic acid Traditional Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]amino]-3-(7aH-indol-3-yl)propionic acid Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CC3=C4C=CC=CC4N=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CC3=C4C=CC=CC4N=C3)C(=O)O

InChI

InChI=1S/C24H27N5O3/c1-15(30)29-23(13-21(27-29)16-8-10-18(11-9-16)28(2)3)26-22(24(31)32)12-17-14-25-20-7-5-4-6-19(17)20/h4-11,14,20,22-23,26H,12-13H2,1-3H3,(H,31,32)