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

Systemtic Name: N-[2-(heptan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: N-[2-(1-methylhexylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: N-[2-(heptan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: N-[2-(heptan-2-ylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-N-[2-(1-methylhexylamino)ethyl]-3-nitro-benzamide Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C29H39N5O5/c1-3-4-5-8-21(2)30-15-16-31-28(35)22-11-12-26(27(19-22)34(37)38)32-17-13-24(14-18-32)33-25-10-7-6-9-23(25)20-39-29(33)36/h6-7,9-12,19,21,24,30H,3-5,8,13-18,20H2,1-2H3,(H,31,35)