N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloranyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloranyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-1H-benzimidazol-2-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-1H-benzimidazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-chloro-1H-benzimidazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(6-chloro-1H-benzimidazol-2-yl)-N-piperonyl-nipecotamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21ClN4O3/c22-15-4-5-16-17(9-15)25-21(24-16)26-7-1-2-14(11-26)20(27)23-10-13-3-6-18-19(8-13)29-12-28-18/h3-6,8-9,14H,1-2,7,10-12H2,(H,23,27)(H,24,25)