N-(1-adamantylmethyl)-N-methyl-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(1-adamantylmethyl)-N-methyl-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-(1-adamantylmethyl)-3-amyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O2/c1-3-4-7-10-29-24(30)22-9-6-5-8-21(22)23(27-29)25(31)28(2)17-26-14-18-11-19(15-26)13-20(12-18)16-26/h5-6,8-9,18-20H,3-4,7,10-17H2,1-2H3