1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroxyimino-ethyl]piperidin-3-yl]methyl]urea

Systemtic Name: 1-[3-ethyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroxyimino-ethyl]piperidin-3-yl]methyl]urea Openeye Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroxyimino-ethyl]-3-piperidyl]methyl]urea CAS Name: 1-[3-ethyl-5-(1-methyl-5-tetrazolyl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]-3-piperidinyl]methyl]urea IUPAC Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroxyiminoethyl]piperidin-3-yl]methyl]urea Traditional Name: 1-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[[(3R)-1-[(2E)-2-(4-fluorophenyl)-2-hydroximino-ethyl]-3-piperidyl]methyl]urea Formula: C25H31FN8O2 MolecularWeight: 494.564443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)NCC3CCCN(C3)CC(=NO)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC(=CC(=C1)C2=NN=NN2C)NC(=O)NC[C@H]3CCCN(C3)C/C(=N/O)/C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN8O2/c1-3-17-11-20(24-29-31-32-33(24)2)13-22(12-17)28-25(35)27-14-18-5-4-10-34(15-18)16-23(30-36)19-6-8-21(26)9-7-19/h6-9,11-13,18,36H,3-5,10,14-16H2,1-2H3,(H2,27,28,35)/b30-23-/t18-/m1/s1