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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=NC4=C(C=CC=C4N3)C(=O)NCCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H21N7O2/c35-25(28-13-12-23-30-19-9-3-4-10-20(19)31-23)18-8-5-11-21-24(18)33-27(32-21)34-26(36)22-14-16-6-1-2-7-17(16)15-29-22/h1-11,14-15H,12-13H2,(H,28,35)(H,30,31)(H2,32,33,34,36)