N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)-3-pyrrol-1-yl-propanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)-3-pyrrol-1-yl-propanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(3-chlorophenyl)-3-pyrrol-1-yl-propanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)-3-(1-pyrrolyl)propanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-chlorophenyl)-3-pyrrol-1-ylpropanamide Traditional Name: 3-(3-chlorophenyl)-N-[(E)-piperonylideneamino]-3-pyrrol-1-yl-propionamide Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CC(C3=CC(=CC=C3)Cl)N4C=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CC(C3=CC(=CC=C3)Cl)N4C=CC=C4

InChI

InChI=1S/C21H18ClN3O3/c22-17-5-3-4-16(11-17)18(25-8-1-2-9-25)12-21(26)24-23-13-15-6-7-19-20(10-15)28-14-27-19/h1-11,13,18H,12,14H2,(H,24,26)/b23-13+