2-[[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]amino]ethanenitrile

Systemtic Name: 2-[[3-[3-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]-2-oxidanyl-propyl]amino]ethanenitrile Openeye Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]indol-1-yl]propyl]amino]acetonitrile CAS Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-indolyl]propyl]amino]acetonitrile IUPAC Name: 2-[[2-hydroxy-3-[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]propyl]amino]acetonitrile Traditional Name: 2-[[2-hydroxy-3-[3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]indol-1-yl]propyl]amino]acetonitrile Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC#N)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCC#N)O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2/c1-17-22(24(31)29(27-17)19-7-3-2-4-8-19)13-18-15-28(16-20(30)14-26-12-11-25)23-10-6-5-9-21(18)23/h2-10,13,15,20,26,30H,12,14,16H2,1H3