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

Systemtic Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C35H40N4O2 MolecularWeight: 548.7177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCC7=CC=CC=C7

InChI

InChI=1S/C35H40N4O2/c40-33(36-14-12-24-6-2-1-3-7-24)31-19-30(10-11-32(31)39-15-13-28-8-4-5-9-29(28)23-39)37-34(41)38-35-20-25-16-26(21-35)18-27(17-25)22-35/h1-11,19,25-27H,12-18,20-23H2,(H,36,40)(H2,37,38,41)