(4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[3-(diethylamino)propyliminomethyl]-2-(2-ethylphenyl)-4H-isoquinoline-1,3-quinone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN(CC)CC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN(CC)CC

InChI

InChI=1S/C25H31N3O2/c1-4-19-12-7-10-15-23(19)28-24(29)21-14-9-8-13-20(21)22(25(28)30)18-26-16-11-17-27(5-2)6-3/h7-10,12-15,18,22H,4-6,11,16-17H2,1-3H3/t22-/m1/s1