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

Systemtic Name: N-[3-(3-morpholin-4-ylpropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-morpholinopropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[3-(4-morpholinyl)propylamino]-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-morpholin-4-ylpropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-morpholinopropylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C29H42N4O3 MolecularWeight: 494.66878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCCN6CCOCC6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCCN6CCOCC6

InChI

InChI=1S/C29H42N4O3/c34-27(30-6-3-7-32-10-12-36-13-11-32)25-17-24(4-5-26(25)33-8-1-2-9-33)31-28(35)29-18-21-14-22(19-29)16-23(15-21)20-29/h4-5,17,21-23H,1-3,6-16,18-20H2,(H,30,34)(H,31,35)