[4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]phenyl]-piperazin-1-yl-methanone CAS Name: [4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthalenyl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]phenyl]-piperazin-1-ylmethanone Traditional Name: [4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]phenyl]-piperazino-methanone Formula: C35H42N2O4 MolecularWeight: 554.71898

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)N4CCNCC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)N4CCNCC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H42N2O4/c1-23(39-2)40-22-41-33-18-30-8-7-29(27-3-5-28(6-4-27)34(38)37-11-9-36-10-12-37)16-31(30)17-32(33)35-19-24-13-25(20-35)15-26(14-24)21-35/h3-8,16-18,23-26,36H,9-15,19-22H2,1-2H3