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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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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)C

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C22H27N3O2/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)23-20(26)19-17-5-3-4-6-18(17)21(27)25(2)24-19/h3-6,13-16H,7-12H2,1-2H3,(H,23,26)/t13-,14?,15?,16?,22?/m1/s1