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

Systemtic Name: (E)-1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(adamantane-1-carbonyl)piperazino]-3-(3-methoxyphenyl)prop-2-en-1-one Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O3/c1-30-22-4-2-3-18(14-22)5-6-23(28)26-7-9-27(10-8-26)24(29)25-15-19-11-20(16-25)13-21(12-19)17-25/h2-6,14,19-21H,7-13,15-17H2,1H3/b6-5+