4-(3-nitropyrazol-1-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide

Systemtic Name: 4-(3-nitropyrazol-1-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Openeye Name: 4-(3-nitropyrazol-1-yl)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]butanamide CAS Name: 4-(3-nitro-1-pyrazolyl)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]butanamide IUPAC Name: 4-(3-nitropyrazol-1-yl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide Traditional Name: 4-(3-nitropyrazol-1-yl)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]butyramide Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CCCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4/c28-22(9-5-14-26-15-10-21(24-26)27(29)30)23-11-6-16-31-20-8-4-7-19(17-20)18-25-12-2-1-3-13-25/h4,7-8,10,15,17H,1-3,5-6,9,11-14,16,18H2,(H,23,28)