1-butyl-3-(7-methoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)urea

Systemtic Name: 1-butyl-3-(7-methoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)urea Openeye Name: 1-butyl-3-(7-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea CAS Name: 1-butyl-3-(7-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea IUPAC Name: 1-butyl-3-(7-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea Traditional Name: 1-butyl-3-(3-keto-7-methoxy-1-methyl-2H-isoquinolin-4-yl)urea Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C2C=CC(=CC2=C(NC1=O)C)OC

Isomeric SMILES

CCCCNC(=O)NC1=C2C=CC(=CC2=C(NC1=O)C)OC

InChI

InChI=1S/C16H21N3O3/c1-4-5-8-17-16(21)19-14-12-7-6-11(22-3)9-13(12)10(2)18-15(14)20/h6-7,9H,4-5,8H2,1-3H3,(H,18,20)(H2,17,19,21)