4-[[(2S)-butan-2-yl]iminomethyl]-2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(4-methoxyphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-butan-2-yl]iminomethyl]-2-(4-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(4-methoxyphenyl)-4-[[(1S)-1-methylpropyl]iminomethyl]-4H-isoquinoline-1,3-quinone Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O3/c1-4-14(2)22-13-19-17-7-5-6-8-18(17)20(24)23(21(19)25)15-9-11-16(26-3)12-10-15/h5-14,19H,4H2,1-3H3/t14-,19?/m0/s1