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

Systemtic Name: 1-[5-azanyl-3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-3-(3-methoxypropyl)urea Openeye Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(3-methoxypropyl)urea CAS Name: 1-[5-amino-3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-3-(3-methoxypropyl)urea IUPAC Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(3-methoxypropyl)urea Traditional Name: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-3-(3-methoxypropyl)urea Formula: C21H24ClN5O2 MolecularWeight: 413.90056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2/c1-29-13-5-12-24-21(28)25-19-18(16-8-10-17(22)11-9-16)26-27(20(19)23)14-15-6-3-2-4-7-15/h2-4,6-11H,5,12-14,23H2,1H3,(H2,24,25,28)