N-[1-(1-adamantyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-benzyl-4-keto-phthalazine-1-carboxamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)CC6=CC=CC=C6

InChI

InChI=1S/C28H31N3O2/c1-18(28-14-20-11-21(15-28)13-22(12-20)16-28)29-26(32)25-23-9-5-6-10-24(23)27(33)31(30-25)17-19-7-3-2-4-8-19/h2-10,18,20-22H,11-17H2,1H3,(H,29,32)