N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]-1,3-benzodioxole-5-carbohydrazide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O4/c27-22(24-25-23(28)18-8-11-20-21(15-18)30-16-29-20)12-7-17-5-9-19(10-6-17)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14,16H2,(H,24,27)(H,25,28)/b12-7+