6-methyl-N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]propyl]pyridine-3-carboxamide

Systemtic Name: 6-methyl-N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]propyl]pyridine-3-carboxamide Openeye Name: 6-methyl-N-[3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]propyl]pyridine-3-carboxamide CAS Name: 6-methyl-N-[3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-N-[3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide Traditional Name: 6-methyl-N-[3-[(3-nitro-4-pyrrolidino-benzoyl)amino]propyl]nicotinamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NCCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-15-5-6-17(14-24-15)21(28)23-10-4-9-22-20(27)16-7-8-18(19(13-16)26(29)30)25-11-2-3-12-25/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,27)(H,23,28)