3-hexyl-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-[4-[4-(2-methoxyethyl)phenyl]thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-[4-[4-(2-methoxyethyl)phenyl]-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-[4-[4-(2-methoxyethyl)phenyl]thiazol-2-yl]phthalazine-1-carboxamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CCOC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)CCOC

InChI

InChI=1S/C27H30N4O3S/c1-3-4-5-8-16-31-26(33)22-10-7-6-9-21(22)24(30-31)25(32)29-27-28-23(18-35-27)20-13-11-19(12-14-20)15-17-34-2/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3,(H,28,29,32)