1-[1-(diphenylmethyl)azetidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-(diphenylmethyl)azetidin-3-yl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[1-(diphenylmethyl)-3-azetidinyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1-methyl-5-isoquinolyl)urea Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c1-19-23-13-8-14-25(24(23)15-16-28-19)30-27(32)29-22-17-31(18-22)26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-16,22,26H,17-18H2,1H3,(H2,29,30,32)