1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethyl-3-pyrazolyl)urea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea Formula: C17H23N5O MolecularWeight: 313.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C17H23N5O/c1-13-11-16(21(2)20-13)19-17(23)18-8-10-22-9-7-14-5-3-4-6-15(14)12-22/h3-6,11H,7-10,12H2,1-2H3,(H2,18,19,23)