N-(4-oxidanylbut-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide

Systemtic Name: N-(4-oxidanylbut-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Openeye Name: N-(4-hydroxybut-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide CAS Name: N-(4-hydroxybut-2-ynyl)-2-[[(3Z)-3-[(1-pyrrolylamino)methylidene]-6-indazolyl]amino]benzamide IUPAC Name: N-(4-hydroxybut-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Traditional Name: N-(4-hydroxybut-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC#CCO)NC2=CC3=C(C=C2)C(=CNN4C=CC=C4)N=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC#CCO)NC2=CC3=C(C=C2)/C(=C/NN4C=CC=C4)/N=N3

InChI

InChI=1S/C23H20N6O2/c30-14-6-3-11-24-23(31)19-7-1-2-8-20(19)26-17-9-10-18-21(15-17)27-28-22(18)16-25-29-12-4-5-13-29/h1-2,4-5,7-10,12-13,15-16,25-26,30H,11,14H2,(H,24,31)/b22-16-