1-(4-butylphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-(4-butylphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(4-butylphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(4-butylphenyl)-3-(1-methyl-2-benzimidazolyl)-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(4-butylphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-(4-butylphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C28H26N6 MolecularWeight: 446.54624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C5=NC6=CC=CC=C6N5C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C5=NC6=CC=CC=C6N5C)N

InChI

InChI=1S/C28H26N6/c1-3-4-9-18-14-16-19(17-15-18)34-26(29)24(27-32-22-12-7-8-13-23(22)33(27)2)25-28(34)31-21-11-6-5-10-20(21)30-25/h5-8,10-17H,3-4,9,29H2,1-2H3