1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-(2-phenoxyethyl)urea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)NCCOC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)NCCOC4=CC=CC=C4)N

InChI

InChI=1S/C25H24ClN5O2/c26-20-13-11-19(12-14-20)22-23(24(27)31(30-22)17-18-7-3-1-4-8-18)29-25(32)28-15-16-33-21-9-5-2-6-10-21/h1-14H,15-17,27H2,(H2,28,29,32)