6-azanyl-2-[3-azanylpropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)hexanamide

Systemtic Name: 6-azanyl-2-[3-azanylpropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)hexanamide Openeye Name: 6-amino-2-[3-aminopropanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)hexanamide CAS Name: 6-amino-2-[(3-amino-1-oxopropyl)-(4-methyl-2-piperidinyl)amino]-N-(4-nitrophenyl)hexanamide IUPAC Name: 6-amino-2-[3-aminopropanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)hexanamide Traditional Name: 6-amino-2-[3-aminopropanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)hexanamide Formula: C21H34N6O4 MolecularWeight: 434.53246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N6O4/c1-15-10-13-24-19(14-15)26(20(28)9-12-23)18(4-2-3-11-22)21(29)25-16-5-7-17(8-6-16)27(30)31/h5-8,15,18-19,24H,2-4,9-14,22-23H2,1H3,(H,25,29)