N-[1-[2-oxidanylidene-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-oxo-2-(4-phenyl-1-azepanyl)ethyl]-4-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[2-keto-2-(4-phenylazepan-1-yl)ethyl]pyrazol-4-yl]-piperonylamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O4/c30-24(28-11-4-7-19(10-12-28)18-5-2-1-3-6-18)16-29-15-21(14-26-29)27-25(31)20-8-9-22-23(13-20)33-17-32-22/h1-3,5-6,8-9,13-15,19H,4,7,10-12,16-17H2,(H,27,31)