N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCCC

InChI

InChI=1S/C24H29N3O4/c1-5-13-30-20-12-11-17(15-21(20)31-14-6-2)16(3)25-23(28)22-18-9-7-8-10-19(18)24(29)27(4)26-22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/t16-/m0/s1