[6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]-(1,4-diazepan-1-yl)methanone

Systemtic Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]-(1,4-diazepan-1-yl)methanone CAS Name: [6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]-(1,4-diazepan-1-yl)methanone Formula: C33H38N2O2 MolecularWeight: 494.66702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)N4CCCNCC4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)N4CCCNCC4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H38N2O2/c1-37-31-8-7-28(18-30(31)33-19-22-13-23(20-33)15-24(14-22)21-33)26-3-4-27-17-29(6-5-25(27)16-26)32(36)35-11-2-9-34-10-12-35/h3-8,16-18,22-24,34H,2,9-15,19-21H2,1H3