[4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chloro-5-ethoxy-4-propoxy-phenyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(3-chloro-5-ethoxy-4-propoxy-phenyl)methanone Formula: C27H37ClN2O4 MolecularWeight: 489.04668

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)OCC

InChI

InChI=1S/C27H37ClN2O4/c1-3-9-34-24-22(28)13-21(14-23(24)33-4-2)25(31)29-5-7-30(8-6-29)26(32)27-15-18-10-19(16-27)12-20(11-18)17-27/h13-14,18-20H,3-12,15-17H2,1-2H3