2-(1-adamantyl)-N-[4-(4-methyl-1-oxidanylidene-phthalazin-2-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-methyl-1-oxidanylidene-phthalazin-2-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-methyl-1-oxo-phthalazin-2-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(4-methyl-1-oxo-2-phthalazinyl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-methyl-1-oxophthalazin-2-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(1-keto-4-methyl-phthalazin-2-yl)phenyl]acetamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

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