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

Systemtic Name: (2Z)-2-(5-bromanyl-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Openeye Name: (2Z)-2-(5-bromo-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole CAS Name: (2Z)-2-(5-bromo-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole IUPAC Name: (2Z)-2-(5-bromo-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Traditional Name: (2Z)-2-(5-bromoindazolin-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Formula: C20H21BrN6 MolecularWeight: 425.32494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN6/c1-26-7-2-8-27(10-9-26)14-4-6-17-18(12-14)23-20(22-17)19-15-11-13(21)3-5-16(15)24-25-19/h3-6,11-12,24-25H,2,7-10H2,1H3/b20-19-