N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-2-methoxy-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-2-methoxy-benzamide Formula: C23H25BrN2O3 MolecularWeight: 457.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CCCCCC3

InChI

InChI=1S/C23H25BrN2O3/c1-29-21-9-5-4-8-19(21)22(27)25-20(16-17-10-12-18(24)13-11-17)23(28)26-14-6-2-3-7-15-26/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,25,27)/b20-16+