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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c22-19-7-5-6-17(16-19)8-9-20(25)23-14-10-18(11-15-23)21(26)24-12-3-1-2-4-13-24/h5-9,16,18H,1-4,10-15H2/b9-8+