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

Systemtic Name: 6-azanyl-2-[4-azanylbutanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)hexanamide Openeye Name: 6-amino-2-[4-aminobutanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)hexanamide CAS Name: 6-amino-2-[(4-amino-1-oxobutyl)-(4-methyl-2-piperidinyl)amino]-N-(4-nitrophenyl)hexanamide IUPAC Name: 6-amino-2-[4-aminobutanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)hexanamide Traditional Name: 6-amino-2-[4-aminobutanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)hexanamide Formula: C22H36N6O4 MolecularWeight: 448.55904

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C22H36N6O4/c1-16-11-14-25-20(15-16)27(21(29)6-4-13-24)19(5-2-3-12-23)22(30)26-17-7-9-18(10-8-17)28(31)32/h7-10,16,19-20,25H,2-6,11-15,23-24H2,1H3,(H,26,30)