3-[3-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]propanamide

Systemtic Name: 3-[3-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]propanamide Openeye Name: 3-[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]propanamide CAS Name: 3-[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1-indolyl]propanamide IUPAC Name: 3-[3-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]indol-1-yl]propanamide Traditional Name: 3-[3-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]indol-1-yl]propionamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CCC(=O)N)C4=C(NNC4=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CCC(=O)N)C4=C(NNC4=O)C

InChI

InChI=1S/C20H22N6O3/c1-10-16(19(28)24-22-10)18(17-11(2)23-25-20(17)29)13-9-26(8-7-15(21)27)14-6-4-3-5-12(13)14/h3-6,9,18H,7-8H2,1-2H3,(H2,21,27)(H2,22,24,28)(H2,23,25,29)