N-[4-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide CAS Name: N-[4-[[(1-methyl-2-benzimidazolyl)methylamino]-oxomethyl]-1H-benzimidazol-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide Formula: C27H21N7O2 MolecularWeight: 475.50134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3=C4C(=CC=C3)NC(=N4)NC(=O)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3=C4C(=CC=C3)NC(=N4)NC(=O)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C27H21N7O2/c1-34-22-12-5-4-10-19(22)30-23(34)15-29-25(35)18-9-6-11-20-24(18)32-27(31-20)33-26(36)21-13-16-7-2-3-8-17(16)14-28-21/h2-14H,15H2,1H3,(H,29,35)(H2,31,32,33,36)