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

Systemtic Name: N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-ethoxypropylamino)-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-ethoxypropylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCC5

InChI

InChI=1S/C27H39N3O3/c1-2-33-11-5-8-28-25(31)23-15-22(6-7-24(23)30-9-3-4-10-30)29-26(32)27-16-19-12-20(17-27)14-21(13-19)18-27/h6-7,15,19-21H,2-5,8-14,16-18H2,1H3,(H,28,31)(H,29,32)