1-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-benzyl-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-15(2)13-24-14-19(17-10-6-7-11-18(17)20(24)25)23-21(26)22-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,26)