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

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-4-methyl-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-bromophenyl)vinyl]-4-methyl-benzamide Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)N3CCCCCC3

InChI

InChI=1S/C23H25BrN2O2/c1-17-6-10-19(11-7-17)22(27)25-21(16-18-8-12-20(24)13-9-18)23(28)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H,25,27)/b21-16-