N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(3-ethoxypropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(3-ethoxypropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C35H47N3O3 MolecularWeight: 557.76598

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCC(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C35H47N3O3/c1-2-41-16-6-13-36-33(39)31-21-30(37-34(40)35-22-27-18-28(23-35)20-29(19-27)24-35)9-10-32(31)38-14-11-26(12-15-38)17-25-7-4-3-5-8-25/h3-5,7-10,21,26-29H,2,6,11-20,22-24H2,1H3,(H,36,39)(H,37,40)