N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-N-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-4-[4-(2-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C30H33FN6O MolecularWeight: 512.621023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C30H33FN6O/c1-34(2)16-17-37(22-23-10-4-3-5-11-23)30(38)28-24-12-6-7-13-25(24)29(33-32-28)36-20-18-35(19-21-36)27-15-9-8-14-26(27)31/h3-15H,16-22H2,1-2H3