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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(3-pyridylmethyl)urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(3-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=CN=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)NCC4=CN=CC=C4)N

InChI

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