2-[4-(1-adamantyl)piperazin-1-yl]carbonyl-1-nitro-anthracene-9,10-dione

Systemtic Name: 2-[4-(1-adamantyl)piperazin-1-yl]carbonyl-1-nitro-anthracene-9,10-dione Openeye Name: 2-[4-(1-adamantyl)piperazine-1-carbonyl]-1-nitro-anthracene-9,10-dione CAS Name: 2-[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]-1-nitroanthracene-9,10-dione IUPAC Name: 2-[4-(1-adamantyl)piperazine-1-carbonyl]-1-nitroanthracene-9,10-dione Traditional Name: 2-[4-(1-adamantyl)piperazine-1-carbonyl]-1-nitro-9,10-anthraquinone Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H29N3O5/c33-26-20-3-1-2-4-21(20)27(34)24-22(26)5-6-23(25(24)32(36)37)28(35)30-7-9-31(10-8-30)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-6,17-19H,7-16H2