2-[2-[3-(4-phenylpiperidin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[2-[3-(4-phenylpiperidin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-[3-(4-phenyl-1-piperidyl)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[2-[3-(4-phenyl-1-piperidinyl)propylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-[3-(4-phenylpiperidin-1-yl)propylamino]pyridin-3-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[2-[3-(4-phenylpiperidino)propylamino]-3-pyridyl]-1H-benzimidazole-4-carboxamide Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCNC3=C(C=CC=N3)C4=NC5=C(C=CC=C5N4)C(=O)N

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCNC3=C(C=CC=N3)C4=NC5=C(C=CC=C5N4)C(=O)N

InChI

InChI=1S/C27H30N6O/c28-25(34)21-9-4-11-23-24(21)32-27(31-23)22-10-5-14-29-26(22)30-15-6-16-33-17-12-20(13-18-33)19-7-2-1-3-8-19/h1-5,7-11,14,20H,6,12-13,15-18H2,(H2,28,34)(H,29,30)(H,31,32)