3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-fluorophenyl)-(2-thienyl)methyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[(4-fluorophenyl)-(2-thienyl)methyl]propionamide Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H18FN3O3S/c23-15-9-7-14(8-10-15)20(18-6-3-13-30-18)24-19(27)11-12-26-22(29)17-5-2-1-4-16(17)21(28)25-26/h1-10,13,20H,11-12H2,(H,24,27)(H,25,28)