N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-4-bromanyl-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-en-2-yl]-4-bromanyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-4-bromo-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(1,3-benzodioxol-5-yl)vinyl]-4-bromo-benzamide Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN2O4/c24-18-8-6-17(7-9-18)22(27)25-19(23(28)26-11-3-1-2-4-12-26)13-16-5-10-20-21(14-16)30-15-29-20/h5-10,13-14H,1-4,11-12,15H2,(H,25,27)/b19-13-