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

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-20(10-9-17-7-3-4-8-19(17)24(27)28)22-15-11-18(12-16-22)21(26)23-13-5-1-2-6-14-23/h3-4,7-10,18H,1-2,5-6,11-16H2/b10-9+