1-[2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[6-oxo-3-(p-tolyl)pyridazin-1-yl]ethyl]urea CAS Name: 1-[2-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea Traditional Name: 1-benzyl-3-[2-[6-keto-3-(p-tolyl)pyridazin-1-yl]ethyl]urea Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-16-7-9-18(10-8-16)19-11-12-20(26)25(24-19)14-13-22-21(27)23-15-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,22,23,27)