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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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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)C6=CC=CC=C6

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C27H29N3O2/c1-17(27-14-18-11-19(15-27)13-20(12-18)16-27)28-25(31)24-22-9-5-6-10-23(22)26(32)30(29-24)21-7-3-2-4-8-21/h2-10,17-20H,11-16H2,1H3,(H,28,31)/t17-,18?,19?,20?,27?/m1/s1