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

Systemtic Name: (4S)-2-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-[(4-methoxyphenyl)methyl]-4-(3-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-[(4-methoxyphenyl)methyl]-4-(3-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-p-anisyl-4-(3-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CN=CC=C4

InChI

InChI=1S/C24H21N3O3/c1-30-19-10-8-17(9-11-19)16-27-23(28)21-7-3-2-6-20(21)22(24(27)29)15-26-14-18-5-4-12-25-13-18/h2-13,15,22H,14,16H2,1H3/t22-/m1/s1