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

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-4-tert-butyl-benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-4-tert-butyl-benzamide Formula: C26H31BrN2O2 MolecularWeight: 483.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CCCCCC3

InChI

InChI=1S/C26H31BrN2O2/c1-26(2,3)21-12-10-20(11-13-21)24(30)28-23(18-19-8-14-22(27)15-9-19)25(31)29-16-6-4-5-7-17-29/h8-15,18H,4-7,16-17H2,1-3H3,(H,28,30)/b23-18+