2-[4-(aminomethyl)phthalazin-1-yl]ethanoyl benzoate

Systemtic Name: 2-[4-(aminomethyl)phthalazin-1-yl]ethanoyl benzoate Openeye Name: [2-[4-(aminomethyl)phthalazin-1-yl]acetyl] benzoate CAS Name: benzoic acid [2-[4-(aminomethyl)-1-phthalazinyl]-1-oxoethyl] ester IUPAC Name: [2-[4-(aminomethyl)phthalazin-1-yl]acetyl] benzoate Traditional Name: benzoic acid [2-[4-(aminomethyl)phthalazin-1-yl]acetyl] ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(=O)CC2=NN=C(C3=CC=CC=C32)CN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(=O)CC2=NN=C(C3=CC=CC=C32)CN

InChI

InChI=1S/C18H15N3O3/c19-11-16-14-9-5-4-8-13(14)15(20-21-16)10-17(22)24-18(23)12-6-2-1-3-7-12/h1-9H,10-11,19H2