(2E)-2-(7-chloranyl-1,2-dihydroindazol-3-ylidene)-N-(3-morpholin-4-ylpropyl)benzimidazol-5-amine

Systemtic Name: (2E)-2-(7-chloranyl-1,2-dihydroindazol-3-ylidene)-N-(3-morpholin-4-ylpropyl)benzimidazol-5-amine Openeye Name: (2E)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-N-(3-morpholinopropyl)benzimidazol-5-amine CAS Name: (2E)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-N-[3-(4-morpholinyl)propyl]-5-benzimidazolamine IUPAC Name: (2E)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-N-(3-morpholin-4-ylpropyl)benzimidazol-5-amine Traditional Name: [(2E)-2-(7-chloroindazolin-3-ylidene)benzimidazol-5-yl]-(3-morpholinopropyl)amine Formula: C21H23ClN6O MolecularWeight: 410.89992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=CC3=NC(=C4C5=C(C(=CC=C5)Cl)NN4)N=C3C=C2

Isomeric SMILES

C1COCCN1CCCNC2=CC3=N/C(=C/4\C5=C(C(=CC=C5)Cl)NN4)/N=C3C=C2

InChI

InChI=1S/C21H23ClN6O/c22-16-4-1-3-15-19(16)26-27-20(15)21-24-17-6-5-14(13-18(17)25-21)23-7-2-8-28-9-11-29-12-10-28/h1,3-6,13,23,26-27H,2,7-12H2/b21-20+