(E)-1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(adamantane-1-carbonyl)piperazino]-3-(2-nitrophenyl)prop-2-en-1-one Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O4/c28-22(6-5-20-3-1-2-4-21(20)27(30)31)25-7-9-26(10-8-25)23(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-6,17-19H,7-16H2/b6-5+