N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(prop-2-ynylamino)propanamide

Systemtic Name: N-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(prop-2-ynylamino)propanamide Openeye Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(prop-2-ynylamino)propanamide CAS Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(prop-2-ynylamino)propanamide IUPAC Name: N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(prop-2-ynylamino)propanamide Traditional Name: N-[3-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-3-(propargylamino)propionamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

Isomeric SMILES

C#CCNCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=C2CCCC3

InChI

InChI=1S/C20H22N4O2/c1-2-11-21-12-10-18(25)22-15-7-5-6-14(13-15)19-16-8-3-4-9-17(16)20(26)24-23-19/h1,5-7,13,21H,3-4,8-12H2,(H,22,25)(H,24,26)