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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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