1-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[1-[(2-cyanophenyl)methyl]-3-pyrrolidinyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(2-cyanobenzyl)pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea Formula: C23H23N5O MolecularWeight: 385.46162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N5O/c1-16-11-21-18(13-25-16)7-4-8-22(21)27-23(29)26-20-9-10-28(15-20)14-19-6-3-2-5-17(19)12-24/h2-8,11,13,20H,9-10,14-15H2,1H3,(H2,26,27,29)