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

Systemtic Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(cyclohexylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O2/c36-30(32-19-17-23-9-3-1-4-10-23)28-21-27(34-31(37)33-26-13-5-2-6-14-26)15-16-29(28)35-20-18-24-11-7-8-12-25(24)22-35/h1,3-4,7-12,15-16,21,26H,2,5-6,13-14,17-20,22H2,(H,32,36)(H2,33,34,37)