3-butyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C23H28N4O3S/c1-2-3-10-27-23(29)18-8-5-4-7-17(18)21(25-27)22(28)24-16-19(20-9-6-15-31-20)26-11-13-30-14-12-26/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,24,28)/t19-/m0/s1