N-[(1R)-1-(1-adamantyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-14(2)27-23(29)20-7-5-4-6-19(20)21(26-27)22(28)25-15(3)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,14-18H,8-13H2,1-3H3,(H,25,28)/t15-,16?,17?,18?,24?/m1/s1