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

Systemtic Name: 1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(diphenylmethyl)azetidin-3-yl]urea Openeye Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1,3-dimethyl-5-isoquinolyl)urea CAS Name: 1-(1,3-dimethyl-5-isoquinolinyl)-3-[1-(diphenylmethyl)-3-azetidinyl]urea IUPAC Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1,3-dimethylisoquinolin-5-yl)urea Traditional Name: 1-(1-benzhydrylazetidin-3-yl)-3-(1,3-dimethyl-5-isoquinolyl)urea Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NC(=C2C=CC=C(C2=C1)NC(=O)NC3CN(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4O/c1-19-16-25-24(20(2)29-19)14-9-15-26(25)31-28(33)30-23-17-32(18-23)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-16,23,27H,17-18H2,1-2H3,(H2,30,31,33)