4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[3-(tert-butylamino)propyliminomethyl]-2-(3-chlorophenyl)-4H-isoquinoline-1,3-quinone Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-23(2,3)26-13-7-12-25-15-20-18-10-4-5-11-19(18)21(28)27(22(20)29)17-9-6-8-16(24)14-17/h4-6,8-11,14-15,20,26H,7,12-13H2,1-3H3