N-[3-(1H-benzimidazol-2-yl)-5-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-5-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-5-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-5-(1-piperazinylmethyl)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-5-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-5-(piperazinomethyl)phenyl]quinoxaline-2-carboxamide Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=CC(=C2)C3=NC4=CC=CC=C4N3)NC(=O)C5=NC6=CC=CC=C6N=C5

Isomeric SMILES

C1CN(CCN1)CC2=CC(=CC(=C2)C3=NC4=CC=CC=C4N3)NC(=O)C5=NC6=CC=CC=C6N=C5

InChI

InChI=1S/C27H25N7O/c35-27(25-16-29-21-5-1-2-6-22(21)31-25)30-20-14-18(17-34-11-9-28-10-12-34)13-19(15-20)26-32-23-7-3-4-8-24(23)33-26/h1-8,13-16,28H,9-12,17H2,(H,30,35)(H,32,33)