5-[(4-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 5-[(4-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(4-butylphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-[(4-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C33H40N4O3 MolecularWeight: 540.6957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCN5CCOCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C33H40N4O3/c1-2-3-6-25-9-11-27(12-10-25)32(38)35-29-13-14-31(37-17-15-26-7-4-5-8-28(26)24-37)30(23-29)33(39)34-16-18-36-19-21-40-22-20-36/h4-5,7-14,23H,2-3,6,15-22,24H2,1H3,(H,34,39)(H,35,38)