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

Systemtic Name: N-prop-2-ynyl-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Openeye Name: N-prop-2-ynyl-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide CAS Name: N-prop-2-ynyl-2-[[(3Z)-3-[(1-pyrrolylamino)methylidene]-6-indazolyl]amino]benzamide IUPAC Name: N-prop-2-ynyl-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Traditional Name: N-propargyl-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=CNN4C=CC=C4)N=N3

Isomeric SMILES

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)/C(=C/NN4C=CC=C4)/N=N3

InChI

InChI=1S/C22H18N6O/c1-2-11-23-22(29)18-7-3-4-8-19(18)25-16-9-10-17-20(14-16)26-27-21(17)15-24-28-12-5-6-13-28/h1,3-10,12-15,24-25H,11H2,(H,23,29)/b21-15-