1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-4-(2-nitroanilino)butan-1-one Formula: C22H32N4O4 MolecularWeight: 416.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O4/c27-21(10-7-13-23-19-8-3-4-9-20(19)26(29)30)24-16-11-18(12-17-24)22(28)25-14-5-1-2-6-15-25/h3-4,8-9,18,23H,1-2,5-7,10-17H2