2-[4-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[4-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[4-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[4-[3-(4-benzylpiperazin-1-yl)propoxy]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[4-[3-(4-benzylpiperazino)propoxy]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=C(C=NC=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCOC2=C(C=NC=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O2/c28-26(34)21-8-4-9-23-25(21)31-27(30-23)22-18-29-11-10-24(22)35-17-5-12-32-13-15-33(16-14-32)19-20-6-2-1-3-7-20/h1-4,6-11,18H,5,12-17,19H2,(H2,28,34)(H,30,31)