3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-phenoxybutyl)propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(4-phenoxybutyl)propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-phenoxybutyl)propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-phenoxybutyl)propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-phenoxybutyl)propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-(4-phenoxybutyl)propionamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H23N3O4/c25-19(22-13-6-7-15-28-16-8-2-1-3-9-16)12-14-24-21(27)18-11-5-4-10-17(18)20(26)23-24/h1-5,8-11H,6-7,12-15H2,(H,22,25)(H,23,26)