4-(3-phenylmethoxypropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-phenylmethoxypropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(3-benzyloxypropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-(3-phenylmethoxypropyliminomethyl)-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-phenylmethoxypropyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-(3-benzoxypropyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c29-24-21-12-5-4-11-20(21)22(25(30)28(24)23-13-6-7-15-27-23)17-26-14-8-16-31-18-19-9-2-1-3-10-19/h1-7,9-13,15,17,22H,8,14,16,18H2