N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(4-phenylpiperazin-1-yl)propanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenyl-1-piperazinyl)propanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide Traditional Name: 3-(4-phenylpiperazino)-N-[(E)-piperonylideneamino]propionamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NN=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c26-21(23-22-15-17-6-7-19-20(14-17)28-16-27-19)8-9-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-7,14-15H,8-13,16H2,(H,23,26)/b22-15+