[4-[4-[5-(1-adamantyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[4-[5-(1-adamantyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[4-[5-(1-adamantyl)-2-methoxy-benzoyl]piperazin-1-yl]-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-[4-[[5-(1-adamantyl)-2-methoxyphenyl]-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[4-[5-(1-adamantyl)-2-methoxybenzoyl]piperazin-1-yl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-[4-[5-(1-adamantyl)-2-methoxy-benzoyl]piperazino]-3-nitro-phenyl]-morpholino-methanone Formula: C33H40N4O6 MolecularWeight: 588.6939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)C6=C(C=C(C=C6)C(=O)N7CCOCC7)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)N5CCN(CC5)C6=C(C=C(C=C6)C(=O)N7CCOCC7)[N+](=O)[O-]

InChI

InChI=1S/C33H40N4O6/c1-42-30-5-3-26(33-19-22-14-23(20-33)16-24(15-22)21-33)18-27(30)32(39)35-8-6-34(7-9-35)28-4-2-25(17-29(28)37(40)41)31(38)36-10-12-43-13-11-36/h2-5,17-18,22-24H,6-16,19-21H2,1H3