methyl 1-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N6O3/c1-34-25(33)20-15-30(22-12-6-5-10-18(20)22)16-23(32)28-13-7-11-21-19(14-26)24(27)31(29-21)17-8-3-2-4-9-17/h2-6,8-10,12,15H,7,11,13,16,27H2,1H3,(H,28,32)