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

Systemtic Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-3-(cyclopropylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-3-(cyclopropylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)-3-(cyclopropylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC(CC6)CC7=CC=CC=C7

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCC(CC6)CC7=CC=CC=C7

InChI

InChI=1S/C33H41N3O2/c37-31(34-27-6-7-27)29-18-28(35-32(38)33-19-24-15-25(20-33)17-26(16-24)21-33)8-9-30(29)36-12-10-23(11-13-36)14-22-4-2-1-3-5-22/h1-5,8-9,18,23-27H,6-7,10-17,19-21H2,(H,34,37)(H,35,38)