(4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(1-imidazolyl)propyliminomethyl]-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-p-anisyl-4H-isoquinoline-1,3-quinone Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

InChI

InChI=1S/C24H24N4O3/c1-31-19-9-7-18(8-10-19)16-28-23(29)21-6-3-2-5-20(21)22(24(28)30)15-25-11-4-13-27-14-12-26-17-27/h2-3,5-10,12,14-15,17,22H,4,11,13,16H2,1H3/t22-/m1/s1