2-[(E)-1-[di(propan-2-yl)amino]-4-(4-methoxyphenyl)but-3-en-2-yl]phthalazin-1-one

Systemtic Name: 2-[(E)-1-[di(propan-2-yl)amino]-4-(4-methoxyphenyl)but-3-en-2-yl]phthalazin-1-one Openeye Name: 2-[(E)-1-[(diisopropylamino)methyl]-3-(4-methoxyphenyl)allyl]phthalazin-1-one CAS Name: 2-[(E)-1-[di(propan-2-yl)amino]-4-(4-methoxyphenyl)but-3-en-2-yl]-1-phthalazinone IUPAC Name: 2-[(E)-1-[di(propan-2-yl)amino]-4-(4-methoxyphenyl)but-3-en-2-yl]phthalazin-1-one Traditional Name: 2-[(E)-1-[(diisopropylamino)methyl]-3-(4-methoxyphenyl)allyl]phthalazin-1-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C=CC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2)C(C)C

Isomeric SMILES

CC(C)N(CC(/C=C/C1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2)C(C)C

InChI

InChI=1S/C25H31N3O2/c1-18(2)27(19(3)4)17-22(13-10-20-11-14-23(30-5)15-12-20)28-25(29)24-9-7-6-8-21(24)16-26-28/h6-16,18-19,22H,17H2,1-5H3/b13-10+