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

Systemtic Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C31H40N4O3 MolecularWeight: 516.6743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O3/c1-38-12-4-10-32-29(36)27-16-26(7-8-28(27)35-11-9-24-5-2-3-6-25(24)20-35)33-30(37)34-31-17-21-13-22(18-31)15-23(14-21)19-31/h2-3,5-8,16,21-23H,4,9-15,17-20H2,1H3,(H,32,36)(H2,33,34,37)