1-[3-[ethyl-(3-methylphenyl)amino]propyl]-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea

Systemtic Name: 1-[3-[ethyl-(3-methylphenyl)amino]propyl]-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea Openeye Name: 1-[3-(N-ethyl-3-methyl-anilino)propyl]-3-(2-methyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-[3-(N-ethyl-3-methylanilino)propyl]-3-(2-methyl-1-oxo-4-isoquinolinyl)urea IUPAC Name: 1-[3-(N-ethyl-3-methylanilino)propyl]-3-(2-methyl-1-oxoisoquinolin-4-yl)urea Traditional Name: 1-[3-(N-ethyl-3-methyl-anilino)propyl]-3-(1-keto-2-methyl-4-isoquinolyl)urea Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)NC1=CN(C(=O)C2=CC=CC=C21)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCCNC(=O)NC1=CN(C(=O)C2=CC=CC=C21)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C23H28N4O2/c1-4-27(18-10-7-9-17(2)15-18)14-8-13-24-23(29)25-21-16-26(3)22(28)20-12-6-5-11-19(20)21/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H2,24,25,29)