methyl (2R)-2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C#N

InChI

InChI=1S/C21H21N5O4/c1-12-13(2)25-26(20(28)16(12)9-22)11-19(27)24-18(21(29)30-3)8-14-10-23-17-7-5-4-6-15(14)17/h4-7,10,18,23H,8,11H2,1-3H3,(H,24,27)/t18-/m1/s1