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

Systemtic Name: N-(3-cyclopropylprop-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Openeye Name: N-(3-cyclopropylprop-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide CAS Name: N-(3-cyclopropylprop-2-ynyl)-2-[[(3Z)-3-[(1-pyrrolylamino)methylidene]-6-indazolyl]amino]benzamide IUPAC Name: N-(3-cyclopropylprop-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylidene]indazol-6-yl]amino]benzamide Traditional Name: N-(3-cyclopropylprop-2-ynyl)-2-[[(3Z)-3-[(pyrrol-1-ylamino)methylene]indazol-6-yl]amino]benzamide Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CCNC(=O)C2=CC=CC=C2NC3=CC4=C(C=C3)C(=CNN5C=CC=C5)N=N4

Isomeric SMILES

C1CC1C#CCNC(=O)C2=CC=CC=C2NC3=CC4=C(C=C3)/C(=C/NN5C=CC=C5)/N=N4

InChI

InChI=1S/C25H22N6O/c32-25(26-13-5-6-18-9-10-18)21-7-1-2-8-22(21)28-19-11-12-20-23(16-19)29-30-24(20)17-27-31-14-3-4-15-31/h1-4,7-8,11-12,14-18,27-28H,9-10,13H2,(H,26,32)/b24-17-