N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-phthalazine-1-carboxamide CAS Name: N-butan-2-yl-4-[4-(3-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-butan-2-yl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]-N-sec-butyl-phthalazine-1-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC(C)NC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H29N5O2/c1-4-17(2)25-24(30)22-20-10-5-6-11-21(20)23(27-26-22)29-14-12-28(13-15-29)18-8-7-9-19(16-18)31-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,25,30)