(3E)-3-[4-[[(2S)-4-methyl-2-propan-2-yl-piperazin-1-yl]methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[4-[[(2S)-4-methyl-2-propan-2-yl-piperazin-1-yl]methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[[(2S)-2-isopropyl-4-methyl-piperazin-1-yl]methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[[(2S)-4-methyl-2-propan-2-yl-1-piperazinyl]methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[[(2S)-2-isopropyl-4-methyl-piperazino]methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32)C

Isomeric SMILES

CC(C)[C@H]1CN(CCN1CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32)C

InChI

InChI=1S/C25H28N6/c1-16(2)24-15-30(3)9-10-31(24)14-18-5-4-6-21-20(18)12-23(27-21)25-19-8-7-17(13-26)11-22(19)28-29-25/h4-8,11-12,16,24,28-29H,9-10,14-15H2,1-3H3/b25-23+/t24-/m1/s1