N-[2-(1H-benzimidazol-2-yl)-4-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)-4-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)-4-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)-4-(1-piperazinylmethyl)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)-4-(piperazin-1-ylmethyl)phenyl]quinoxaline-2-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)-4-(piperazinomethyl)phenyl]quinoxaline-2-carboxamide Formula: C27H25N7O MolecularWeight: 463.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CCN1)CC2=CC(=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C5=NC6=CC=CC=C6N5

InChI

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