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

Systemtic Name: (3E)-3-[4-[(4-azanylpiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(4-amino-1-piperidyl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(4-amino-1-piperidinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(4-aminopiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(4-aminopiperidino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C22H22N6 MolecularWeight: 370.45028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

C1CN(CCC1N)CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C22H22N6/c23-12-14-4-5-17-20(10-14)26-27-22(17)21-11-18-15(2-1-3-19(18)25-21)13-28-8-6-16(24)7-9-28/h1-5,10-11,16,26-27H,6-9,13,24H2/b22-21+