1-[2-oxidanylidene-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]azepan-2-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]azepan-2-one Openeye Name: 1-[2-oxo-2-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazin-1-yl]ethyl]azepan-2-one CAS Name: 1-[2-oxo-2-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]ethyl]-2-azepanone IUPAC Name: 1-[2-oxo-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]azepan-2-one Traditional Name: 1-[2-keto-2-[4-[(E)-3-(2-thienyl)acryloyl]piperazino]ethyl]azepan-2-one Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S/c23-17-6-2-1-3-9-22(17)15-19(25)21-12-10-20(11-13-21)18(24)8-7-16-5-4-14-26-16/h4-5,7-8,14H,1-3,6,9-13,15H2/b8-7+