2-azanyl-1-butyl-6-ethyl-4-nitro-3-[1-(phenylmethyl)benzimidazol-2-yl]pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 2-azanyl-1-butyl-6-ethyl-4-nitro-3-[1-(phenylmethyl)benzimidazol-2-yl]pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-butyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 2-amino-1-butyl-6-ethyl-4-nitro-3-[1-(phenylmethyl)-2-benzimidazolyl]-7-pyrrolo[2,3-d]pyridazinone IUPAC Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-butyl-6-ethyl-4-nitropyrrolo[2,3-d]pyridazin-7-one Traditional Name: 2-amino-3-(1-benzylbenzimidazol-2-yl)-1-butyl-6-ethyl-4-nitro-pyrrolo[2,3-d]pyridazin-7-one Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)C(=NN(C2=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C(=C1N)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)C(=NN(C2=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C26H27N7O3/c1-3-5-15-30-22-20(25(33(35)36)29-32(4-2)26(22)34)21(23(30)27)24-28-18-13-9-10-14-19(18)31(24)16-17-11-7-6-8-12-17/h6-14H,3-5,15-16,27H2,1-2H3