4-oxidanylidene-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)NC(C)C

InChI

InChI=1S/C23H27N5O3/c1-4-13-28-22(30)19-8-6-5-7-18(19)20(27-28)21(29)24-14-16-9-11-17(12-10-16)26-23(31)25-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,24,29)(H2,25,26,31)