3-[(4-methylpiperazin-1-yl)methyl]-4-(3-nitrophenyl)-6-phenyl-pyridazine

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(3-nitrophenyl)-6-phenyl-pyridazine Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(3-nitrophenyl)-6-phenyl-pyridazine CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-4-(3-nitrophenyl)-6-phenylpyridazine IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-4-(3-nitrophenyl)-6-phenylpyridazine Traditional Name: 3-[(4-methylpiperazino)methyl]-4-(3-nitrophenyl)-6-phenyl-pyridazine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NN=C(C=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=NN=C(C=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-25-10-12-26(13-11-25)16-22-20(18-8-5-9-19(14-18)27(28)29)15-21(23-24-22)17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3