N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-indolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methyleneamino]-piperonylamide Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C\C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C20H16N4O3/c21-8-3-9-24-12-15(16-4-1-2-5-17(16)24)11-22-23-20(25)14-6-7-18-19(10-14)27-13-26-18/h1-2,4-7,10-12H,3,9,13H2,(H,23,25)/b22-11-