6-azanyl-2-[(4-methylpiperidin-2-yl)-(2-phenoxyethanoyl)amino]-N-(4-nitrophenyl)hexanamide

Systemtic Name: 6-azanyl-2-[(4-methylpiperidin-2-yl)-(2-phenoxyethanoyl)amino]-N-(4-nitrophenyl)hexanamide Openeye Name: 6-amino-2-[(4-methyl-2-piperidyl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)hexanamide CAS Name: 6-amino-2-[(4-methyl-2-piperidinyl)-(1-oxo-2-phenoxyethyl)amino]-N-(4-nitrophenyl)hexanamide IUPAC Name: 6-amino-2-[(4-methylpiperidin-2-yl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)hexanamide Traditional Name: 6-amino-2-[(4-methyl-2-piperidyl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)hexanamide Formula: C26H35N5O5 MolecularWeight: 497.5866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)N(C(CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1CCNC(C1)N(C(CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H35N5O5/c1-19-14-16-28-24(17-19)30(25(32)18-36-22-7-3-2-4-8-22)23(9-5-6-15-27)26(33)29-20-10-12-21(13-11-20)31(34)35/h2-4,7-8,10-13,19,23-24,28H,5-6,9,14-18,27H2,1H3,(H,29,33)