N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenylazanyl-ethanamide

Systemtic Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2-phenylazanyl-ethanamide Openeye Name: 2-anilino-N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]acetamide CAS Name: 2-anilino-N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]acetamide IUPAC Name: 2-anilino-N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide Traditional Name: 2-anilino-N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]acetamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NNC(=O)CNC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=N\NC(=O)CNC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-15-10-17(12-24-25-22(27)13-23-18-6-4-3-5-7-18)16(2)26(15)19-8-9-20-21(11-19)29-14-28-20/h3-12,23H,13-14H2,1-2H3,(H,25,27)/b24-12-