6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(methylamino)propyl]phthalazin-1-one

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(methylamino)propyl]phthalazin-1-one Openeye Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-[3-(methylamino)propyl]phthalazin-1-one CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(methylamino)propyl]-1-phthalazinone IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(methylamino)propyl]phthalazin-1-one Traditional Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-[3-(methylamino)propyl]phthalazin-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN1C(=O)C2=C(C=C(C=C2)C=CC3=CC=C(C=C3)OC)C=N1

Isomeric SMILES

CNCCCN1C(=O)C2=C(C=C(C=C2)/C=C/C3=CC=C(C=C3)OC)C=N1

InChI

InChI=1S/C21H23N3O2/c1-22-12-3-13-24-21(25)20-11-8-17(14-18(20)15-23-24)5-4-16-6-9-19(26-2)10-7-16/h4-11,14-15,22H,3,12-13H2,1-2H3/b5-4+