4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-cyclopropyl-benzamide Openeye Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-N-cyclopropyl-benzamide CAS Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide IUPAC Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide Traditional Name: N-cyclopropyl-4-[(E)-3-keto-3-(4-piperonylpiperazino)prop-1-enyl]benzamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O4/c29-24(10-4-18-1-5-20(6-2-18)25(30)26-21-7-8-21)28-13-11-27(12-14-28)16-19-3-9-22-23(15-19)32-17-31-22/h1-6,9-10,15,21H,7-8,11-14,16-17H2,(H,26,30)/b10-4+