1-(6,7-dimethoxy-1-methyl-3-phenylazanyl-isoquinolin-4-yl)-3-prop-2-enyl-urea

Systemtic Name: 1-(6,7-dimethoxy-1-methyl-3-phenylazanyl-isoquinolin-4-yl)-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-(3-anilino-6,7-dimethoxy-1-methyl-4-isoquinolyl)urea CAS Name: 1-(3-anilino-6,7-dimethoxy-1-methyl-4-isoquinolinyl)-3-prop-2-enylurea IUPAC Name: 1-(3-anilino-6,7-dimethoxy-1-methylisoquinolin-4-yl)-3-prop-2-enylurea Traditional Name: 1-allyl-3-(3-anilino-6,7-dimethoxy-1-methyl-4-isoquinolyl)urea Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)NC(=O)NCC=C)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)NC(=O)NCC=C)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-5-11-23-22(27)26-20-17-13-19(29-4)18(28-3)12-16(17)14(2)24-21(20)25-15-9-7-6-8-10-15/h5-10,12-13H,1,11H2,2-4H3,(H,24,25)(H2,23,26,27)