(3E)-3-[5-[(4-azanylpiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-[(4-azanylpiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-[(4-amino-1-piperidyl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(4-amino-1-piperidinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-[(4-aminopiperidin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-[(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=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

C1CN(CCC1N)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

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