7-[(4-methylpiperazin-1-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 7-[(4-methylpiperazin-1-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-7-[(4-methylpiperazin-1-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one CAS Name: 7-[(4-methyl-1-piperazinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-yl-1-phthalazinone IUPAC Name: 7-[(4-methylpiperazin-1-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-7-[(4-methylpiperazino)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one Formula: C21H29N7O MolecularWeight: 395.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)CN4CCN(CC4)C)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)CN4CCN(CC4)C)C(C)C

InChI

InChI=1S/C21H29N7O/c1-14(2)28-21(29)18-12-16(13-27-9-7-26(4)8-10-27)5-6-17(18)20(25-28)22-19-11-15(3)23-24-19/h5-6,11-12,14H,7-10,13H2,1-4H3,(H2,22,23,24,25)