1-(diphenylmethyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea

Systemtic Name: 1-(diphenylmethyl)-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Openeye Name: 1-benzhydryl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea CAS Name: 1-(diphenylmethyl)-3-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]urea IUPAC Name: 1-benzhydryl-3-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Traditional Name: 1-benzhydryl-3-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)urea Formula: C26H27N3O2 MolecularWeight: 413.51148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-2-24(30)29-16-15-19-13-14-23(17-22(19)18-29)27-26(31)28-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,25H,2,15-16,18H2,1H3,(H2,27,28,31)