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

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-[2-(pentan-2-ylamino)ethyl]benzamide Openeye Name: N-[2-(1-methylbutylamino)ethyl]-3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-N-[2-(pentan-2-ylamino)ethyl]benzamide IUPAC Name: 3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-[2-(pentan-2-ylamino)ethyl]benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-N-[2-(1-methylbutylamino)ethyl]-3-nitro-benzamide Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O5/c1-3-6-19(2)28-13-14-29-26(33)20-9-10-24(25(17-20)32(35)36)30-15-11-22(12-16-30)31-23-8-5-4-7-21(23)18-37-27(31)34/h4-5,7-10,17,19,22,28H,3,6,11-16,18H2,1-2H3,(H,29,33)