5-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazin-1-yl]-2-methyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]-1-piperazinyl]-2-methyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]piperazino]-2-methyl-oxazole-4-carbonitrile Formula: C19H22ClN5O2S MolecularWeight: 419.92828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN(CC=C)CC3=CC=C(S3)Cl)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN(CC=C)CC3=CC=C(S3)Cl)C#N

InChI

InChI=1S/C19H22ClN5O2S/c1-3-6-23(12-15-4-5-17(20)28-15)13-18(26)24-7-9-25(10-8-24)19-16(11-21)22-14(2)27-19/h3-5H,1,6-10,12-13H2,2H3