4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylbutyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylbutyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylbutyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(1-pyrrolidinyl)butyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylbutyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidinobutyl)benzamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)N3CCCC3

Isomeric SMILES

CCC(CNC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)N3CCCC3

InChI

InChI=1S/C21H29N5O3/c1-4-19(24-11-5-6-12-24)13-22-21(27)18-9-7-17(8-10-18)14-25-16(3)20(26(28)29)15(2)23-25/h7-10,19H,4-6,11-14H2,1-3H3,(H,22,27)