methyl 6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-[[5-(3-chlorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[[5-(3-chlorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]nicotinic acid methyl ester Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O3S/c1-30-23(29)17-5-7-20(25-14-17)22(28)27-11-9-26(10-12-27)15-19-6-8-21(31-19)16-3-2-4-18(24)13-16/h2-8,13-14H,9-12,15H2,1H3