4-oxidanylidene-3-(phenylmethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(3-isopropoxyphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[1-(3-isopropoxyphenyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-18(2)33-22-13-9-12-21(16-22)19(3)28-26(31)25-23-14-7-8-15-24(23)27(32)30(29-25)17-20-10-5-4-6-11-20/h4-16,18-19H,17H2,1-3H3,(H,28,31)