N-[1-phenyl-3-[4-[3-(phenylmethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]propyl]-3-propanoyl-azetidine-3-carboxamide

Systemtic Name: N-[1-phenyl-3-[4-[3-(phenylmethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]propyl]-3-propanoyl-azetidine-3-carboxamide Openeye Name: N-[3-[4-(3-benzyl-1,2,4-triazol-1-yl)-1-piperidyl]-1-phenyl-propyl]-3-propanoyl-azetidine-3-carboxamide CAS Name: 3-(1-oxopropyl)-N-[1-phenyl-3-[4-[3-(phenylmethyl)-1,2,4-triazol-1-yl]-1-piperidinyl]propyl]-3-azetidinecarboxamide IUPAC Name: N-[3-[4-(3-benzyl-1,2,4-triazol-1-yl)piperidin-1-yl]-1-phenylpropyl]-3-propanoylazetidine-3-carboxamide Traditional Name: N-[3-[4-(3-benzyl-1,2,4-triazol-1-yl)piperidino]-1-phenyl-propyl]-3-propionyl-azetidine-3-carboxamide Formula: C30H38N6O2 MolecularWeight: 514.66172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CNC1)C(=O)NC(CCN2CCC(CC2)N3C=NC(=N3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1(CNC1)C(=O)NC(CCN2CCC(CC2)N3C=NC(=N3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H38N6O2/c1-2-27(37)30(20-31-21-30)29(38)33-26(24-11-7-4-8-12-24)15-18-35-16-13-25(14-17-35)36-22-32-28(34-36)19-23-9-5-3-6-10-23/h3-12,22,25-26,31H,2,13-21H2,1H3,(H,33,38)