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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-prop-2-ynyl-urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-prop-2-ynyl-urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-prop-2-ynylurea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-prop-2-ynylurea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-propargyl-urea Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)NC1=C(N(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)N

Isomeric SMILES

C#CCNC(=O)NC1=C(N(N=C1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H18ClN5O/c1-2-12-23-20(27)24-18-17(15-8-10-16(21)11-9-15)25-26(19(18)22)13-14-6-4-3-5-7-14/h1,3-11H,12-13,22H2,(H2,23,24,27)