[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c1-12-2-3-13(10-15(12)21(23)24)17(22)20-8-6-19(7-9-20)11-14-4-5-16(18)25-14/h2-5,10H,6-9,11H2,1H3