N-[2,6-di(propan-2-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2,6-diisopropylphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2,6-di(propan-2-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2,6-diisopropylphenyl)-4-keto-phthalazine-1-carboxamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2/c1-18(2)21-15-10-16-22(19(3)4)25(21)29-27(32)26-23-13-8-9-14-24(23)28(33)31(30-26)17-20-11-6-5-7-12-20/h5-16,18-19H,17H2,1-4H3,(H,29,32)