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

Systemtic Name: 5-azanyl-2-[(4-methylpiperidin-2-yl)-(2-phenoxyethanoyl)amino]-N-(4-nitrophenyl)pentanamide Openeye Name: 5-amino-2-[(4-methyl-2-piperidyl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)pentanamide CAS Name: 5-amino-2-[(4-methyl-2-piperidinyl)-(1-oxo-2-phenoxyethyl)amino]-N-(4-nitrophenyl)pentanamide IUPAC Name: 5-amino-2-[(4-methylpiperidin-2-yl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)pentanamide Traditional Name: 5-amino-2-[(4-methyl-2-piperidyl)-(2-phenoxyacetyl)amino]-N-(4-nitrophenyl)valeramide Formula: C25H33N5O5 MolecularWeight: 483.56002

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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)COC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O5/c1-18-13-15-27-23(16-18)29(24(31)17-35-21-6-3-2-4-7-21)22(8-5-14-26)25(32)28-19-9-11-20(12-10-19)30(33)34/h2-4,6-7,9-12,18,22-23,27H,5,8,13-17,26H2,1H3,(H,28,32)