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

Systemtic Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)benzamide Formula: C32H42N4O3 MolecularWeight: 530.70088

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C32H42N4O3/c1-2-39-13-5-11-33-30(37)28-17-27(8-9-29(28)36-12-10-25-6-3-4-7-26(25)21-36)34-31(38)35-32-18-22-14-23(19-32)16-24(15-22)20-32/h3-4,6-9,17,22-24H,2,5,10-16,18-21H2,1H3,(H,33,37)(H2,34,35,38)