N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-ethoxypropylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C32H41N3O3 MolecularWeight: 515.68624

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C32H41N3O3/c1-2-38-13-5-11-33-30(36)28-17-27(8-9-29(28)35-12-10-25-6-3-4-7-26(25)21-35)34-31(37)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,33,36)(H,34,37)