1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidin-1-yl]methanone

Systemtic Name: 1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidin-1-yl]methanone Openeye Name: 1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidin-1-yl]methanone CAS Name: 1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1-pyrrolidinyl]methanone IUPAC Name: 1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidin-1-yl]methanone Traditional Name: 1-adamantyl-[(2R)-2-[4-[4-(2-methoxyphenyl)piperazino]butyl]pyrrolidino]methanone Formula: C30H45N3O2 MolecularWeight: 479.6972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCC3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC[C@@H]3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H45N3O2/c1-35-28-10-3-2-9-27(28)32-15-13-31(14-16-32)11-5-4-7-26-8-6-12-33(26)29(34)30-20-23-17-24(21-30)19-25(18-23)22-30/h2-3,9-10,23-26H,4-8,11-22H2,1H3/t23?,24?,25?,26-,30?/m1/s1