N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]benzamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]benzamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]benzamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide Traditional Name: N-[3-(4-piperonylpiperazine-1-carbonyl)phenyl]benzamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4/c30-25(20-5-2-1-3-6-20)27-22-8-4-7-21(16-22)26(31)29-13-11-28(12-14-29)17-19-9-10-23-24(15-19)33-18-32-23/h1-10,15-16H,11-14,17-18H2,(H,27,30)