N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[oxo-(2-oxolanylmethylamino)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]-3-(tetrahydrofurfurylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C34H44N4O4 MolecularWeight: 572.73756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7CCCO7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7CCCO7

InChI

InChI=1S/C34H44N4O4/c1-41-31-7-3-2-6-30(31)38-12-10-37(11-13-38)29-9-8-26(18-28(29)32(39)35-22-27-5-4-14-42-27)36-33(40)34-19-23-15-24(20-34)17-25(16-23)21-34/h2-3,6-9,18,23-25,27H,4-5,10-17,19-22H2,1H3,(H,35,39)(H,36,40)