4-[[(2R)-4-phenylbutan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2R)-4-phenylbutan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2R)-4-phenylbutan-2-yl]iminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2R)-4-phenylbutan-2-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(1R)-1-methyl-3-phenyl-propyl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C25H23N3O2/c1-18(14-15-19-9-3-2-4-10-19)27-17-22-20-11-5-6-12-21(20)24(29)28(25(22)30)23-13-7-8-16-26-23/h2-13,16-18,22H,14-15H2,1H3/t18-,22?/m1/s1