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

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]benzamide Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O2/c23-19-12-10-17(11-13-19)16-20(22(27)25-14-6-1-2-7-15-25)24-21(26)18-8-4-3-5-9-18/h3-5,8-13,16H,1-2,6-7,14-15H2,(H,24,26)/b20-16+