(2Z)-2-(7-chloranyl-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole

Systemtic Name: (2Z)-2-(7-chloranyl-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Openeye Name: (2Z)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole CAS Name: (2Z)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole IUPAC Name: (2Z)-2-(7-chloro-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Traditional Name: (2Z)-2-(7-chloroindazolin-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Formula: C20H21ClN6 MolecularWeight: 380.87394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC3=NC(=C4C5=C(C(=CC=C5)Cl)NN4)N=C3C=C2

Isomeric SMILES

CN1CCCN(CC1)C2=CC3=N/C(=C\4/C5=C(C(=CC=C5)Cl)NN4)/N=C3C=C2

InChI

InChI=1S/C20H21ClN6/c1-26-8-3-9-27(11-10-26)13-6-7-16-17(12-13)23-20(22-16)19-14-4-2-5-15(21)18(14)24-25-19/h2,4-7,12,24-25H,3,8-11H2,1H3/b20-19-