5-azanyl-2-[4-azanylbutanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 5-azanyl-2-[4-azanylbutanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Openeye Name: 5-amino-2-[4-aminobutanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)pentanamide CAS Name: 5-amino-2-[(4-amino-1-oxobutyl)-(4-methyl-2-piperidinyl)amino]-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-amino-2-[4-aminobutanoyl-(4-methylpiperidin-2-yl)amino]-N-(4-nitrophenyl)pentanamide Traditional Name: 5-amino-2-[4-aminobutanoyl-(4-methyl-2-piperidyl)amino]-N-(4-nitrophenyl)valeramide Formula: C21H34N6O4 MolecularWeight: 434.53246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N6O4/c1-15-10-13-24-19(14-15)26(20(28)5-3-12-23)18(4-2-11-22)21(29)25-16-6-8-17(9-7-16)27(30)31/h6-9,15,18-19,24H,2-5,10-14,22-23H2,1H3,(H,25,29)