N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O2/c1-3-4-9-30-25(32)22-8-6-5-7-21(22)23(29-30)24(31)28-27-17(2)13-26-14-18-10-19(15-26)12-20(11-18)16-26/h5-8,18-20H,3-4,9-16H2,1-2H3,(H,28,31)/b27-17+