4-oxidanylidene-N-[2-(1-phenylethylcarbamoyl)phenyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(1-phenylethylcarbamoyl)phenyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(1-phenylethylcarbamoyl)phenyl]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-[oxo-(1-phenylethylamino)methyl]phenyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[2-(1-phenylethylcarbamoyl)phenyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(1-phenylethylcarbamoyl)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-3-17-31-27(34)21-14-8-7-13-20(21)24(30-31)26(33)29-23-16-10-9-15-22(23)25(32)28-18(2)19-11-5-4-6-12-19/h4-16,18H,3,17H2,1-2H3,(H,28,32)(H,29,33)