3-[5-azanyl-3-methyl-4-[(3S)-3-oxidanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-yl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[5-azanyl-3-methyl-4-[(3S)-3-oxidanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-yl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(3S)-1-allyl-3-hydroxy-2-oxo-indolin-3-yl]-5-amino-3-methyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[5-amino-4-[(3S)-3-hydroxy-2-oxo-1-prop-2-enyl-3-indolyl]-3-methyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[5-amino-4-[(3S)-3-hydroxy-2-oxo-1-prop-2-enylindol-3-yl]-3-methylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(3S)-1-allyl-3-hydroxy-2-keto-indolin-3-yl]-5-amino-3-methyl-pyrazol-1-yl]propionitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2(C3=CC=CC=C3N(C2=O)CC=C)O)N)CCC#N

Isomeric SMILES

CC1=NN(C(=C1[C@]2(C3=CC=CC=C3N(C2=O)CC=C)O)N)CCC#N

InChI

InChI=1S/C18H19N5O2/c1-3-10-22-14-8-5-4-7-13(14)18(25,17(22)24)15-12(2)21-23(16(15)20)11-6-9-19/h3-5,7-8,25H,1,6,10-11,20H2,2H3/t18-/m0/s1