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

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(3-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-bromophenyl)vinyl]benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(3-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-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(=CC=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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