3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-N-(2-piperidinoethyl)benzamide Formula: C27H33N5O5 MolecularWeight: 507.58142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H33N5O5/c33-26(28-12-17-29-13-4-1-5-14-29)20-8-9-24(25(18-20)32(35)36)30-15-10-22(11-16-30)31-23-7-3-2-6-21(23)19-37-27(31)34/h2-3,6-9,18,22H,1,4-5,10-17,19H2,(H,28,33)