N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-pyrrol-1-yl-benzamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-pyrrol-1-yl-benzamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-pyrrol-1-yl-benzamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(1-pyrrolyl)benzamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-pyrrol-1-ylbenzamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-pyrrol-1-yl-benzamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1N2C=CC=C2)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1N2C=CC=C2)/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O3/c1-16(8-9-17-10-11-20-21(14-17)28-15-27-20)23-24-22(26)18-6-2-3-7-19(18)25-12-4-5-13-25/h2-7,10-14H,8-9,15H2,1H3,(H,24,26)/b23-16+