ethyl 4-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methyl-1-piperidyl)phthalazine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-(4-methyl-1-piperidinyl)-1-phthalazinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylpiperidin-1-yl)phthalazine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-methylpiperidino)phthalazine-1-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C

InChI

InChI=1S/C22H29N5O3/c1-3-30-22(29)27-14-12-26(13-15-27)21(28)19-17-6-4-5-7-18(17)20(24-23-19)25-10-8-16(2)9-11-25/h4-7,16H,3,8-15H2,1-2H3