6-methyl-1-(2-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]carbonyl-pyridazin-4-one Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 6-methyl-1-(2-nitrophenyl)-3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methyl]-4-pyridazinone IUPAC Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-4-one Traditional Name: 3-[4-(4-isopropylbenzyl)piperazine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H29N5O4/c1-18(2)21-10-8-20(9-11-21)17-28-12-14-29(15-13-28)26(33)25-24(32)16-19(3)30(27-25)22-6-4-5-7-23(22)31(34)35/h4-11,16,18H,12-15,17H2,1-3H3