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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(phenylmethyl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C36H42N4O3 MolecularWeight: 578.74368

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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)NCC7=CC=CC=C7

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5)C(=O)NCC7=CC=CC=C7

InChI

InChI=1S/C36H42N4O3/c1-43-33-10-6-5-9-32(33)40-15-13-39(14-16-40)31-12-11-29(20-30(31)34(41)37-24-25-7-3-2-4-8-25)38-35(42)36-21-26-17-27(22-36)19-28(18-26)23-36/h2-12,20,26-28H,13-19,21-24H2,1H3,(H,37,41)(H,38,42)