5-(cyclohexylcarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-(cyclohexylcarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-(cyclohexanecarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[cyclohexyl(oxo)methyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-(cyclohexanecarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-(cyclohexanecarbonylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H35N3O2 MolecularWeight: 481.6285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O2/c35-30(25-12-5-2-6-13-25)33-27-15-16-29(34-20-18-24-11-7-8-14-26(24)22-34)28(21-27)31(36)32-19-17-23-9-3-1-4-10-23/h1,3-4,7-11,14-16,21,25H,2,5-6,12-13,17-20,22H2,(H,32,36)(H,33,35)