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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(pyridin-2-ylmethyl)urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-pyridylmethyl)urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-(2-pyridinylmethyl)urea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-2-ylmethyl)urea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(2-pyridylmethyl)urea Formula: C23H21ClN6O MolecularWeight: 432.90544

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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)NCC4=CC=CC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)NCC4=CC=CC=N4)N

InChI

InChI=1S/C23H21ClN6O/c24-18-11-9-17(10-12-18)20-21(28-23(31)27-14-19-8-4-5-13-26-19)22(25)30(29-20)15-16-6-2-1-3-7-16/h1-13H,14-15,25H2,(H2,27,28,31)