N-(1,3-benzodioxol-5-yl)-1-[4-(benzotriazol-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(benzotriazol-1-ylmethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(benzotriazol-1-ylmethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(benzotriazol-1-ylmethyl)benzoyl]isonipecotamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H25N5O4/c33-26(28-21-9-10-24-25(15-21)36-17-35-24)19-11-13-31(14-12-19)27(34)20-7-5-18(6-8-20)16-32-23-4-2-1-3-22(23)29-30-32/h1-10,15,19H,11-14,16-17H2,(H,28,33)