ethyl 4-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C

InChI

InChI=1S/C23H30ClN3O3/c1-5-30-23(29)22-16(3)19(17(4)25-22)8-9-21(28)27-12-10-26(11-13-27)20-14-18(24)7-6-15(20)2/h6-7,14,25H,5,8-13H2,1-4H3