4-chloranyl-2-[(2-methyl-3-nitro-phenyl)methyl]-5-piperazin-1-yl-pyridazin-3-one

Systemtic Name: 4-chloranyl-2-[(2-methyl-3-nitro-phenyl)methyl]-5-piperazin-1-yl-pyridazin-3-one Openeye Name: 4-chloro-2-[(2-methyl-3-nitro-phenyl)methyl]-5-piperazin-1-yl-pyridazin-3-one CAS Name: 4-chloro-2-[(2-methyl-3-nitrophenyl)methyl]-5-(1-piperazinyl)-3-pyridazinone IUPAC Name: 4-chloro-2-[(2-methyl-3-nitrophenyl)methyl]-5-piperazin-1-ylpyridazin-3-one Traditional Name: 4-chloro-2-(2-methyl-3-nitro-benzyl)-5-piperazino-pyridazin-3-one Formula: C16H18ClN5O3 MolecularWeight: 363.79882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2C(=O)C(=C(C=N2)N3CCNCC3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2C(=O)C(=C(C=N2)N3CCNCC3)Cl

InChI

InChI=1S/C16H18ClN5O3/c1-11-12(3-2-4-13(11)22(24)25)10-21-16(23)15(17)14(9-19-21)20-7-5-18-6-8-20/h2-4,9,18H,5-8,10H2,1H3