4-[(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methyl-phthalazin-1-one Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC2=C1CN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=NNC2=C1CN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C20H23N5O2/c1-3-4-9-16-15-12-25(11-10-17(15)22-21-16)20(27)18-13-7-5-6-8-14(13)19(26)24(2)23-18/h5-8H,3-4,9-12H2,1-2H3,(H,21,22)