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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propylpiperidin-4-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propyl-4-piperidyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-propyl-4-piperidinyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-propylpiperidin-4-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-propyl-4-piperidyl)benzamide Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCCN1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N5O3/c1-4-11-24-12-9-19(10-13-24)22-21(27)18-7-5-17(6-8-18)14-25-16(3)20(26(28)29)15(2)23-25/h5-8,19H,4,9-14H2,1-3H3,(H,22,27)