(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(2-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2-bromophenyl)prop-2-en-1-one Formula: C21H27BrN2O2 MolecularWeight: 419.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3Br

InChI

InChI=1S/C21H27BrN2O2/c22-19-8-4-3-7-17(19)9-10-20(25)23-15-11-18(12-16-23)21(26)24-13-5-1-2-6-14-24/h3-4,7-10,18H,1-2,5-6,11-16H2/b10-9+