2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(1H-indazol-5-ylamino)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[3-(1H-indazol-5-ylamino)-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[3-(1H-indazol-5-ylamino)piperidino]-5-nitro-benzonitrile Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC3=CC4=C(C=C3)NN=C4

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C19H18N6O2/c20-10-13-9-17(25(26)27)4-6-19(13)24-7-1-2-16(12-24)22-15-3-5-18-14(8-15)11-21-23-18/h3-6,8-9,11,16,22H,1-2,7,12H2,(H,21,23)