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

Systemtic Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C33H43N5O3 MolecularWeight: 557.72622

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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)NCCN7CCOCC7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

InChI

InChI=1S/C33H43N5O3/c39-31(34-8-10-37-11-13-41-14-12-37)29-18-28(5-6-30(29)38-9-7-26-3-1-2-4-27(26)22-38)35-32(40)36-33-19-23-15-24(20-33)17-25(16-23)21-33/h1-6,18,23-25H,7-17,19-22H2,(H,34,39)(H2,35,36,40)