ethyl 5-chloranyl-6-[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C25H31ClN4O3 MolecularWeight: 470.99164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC(C)(C)C3=CC=CC(=C3)C(=C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC(C)(C)C3=CC=CC(=C3)C(=C)C)Cl

InChI

InChI=1S/C25H31ClN4O3/c1-6-33-23(31)19-15-21(26)22(27-16-19)29-10-12-30(13-11-29)24(32)28-25(4,5)20-9-7-8-18(14-20)17(2)3/h7-9,14-16H,2,6,10-13H2,1,3-5H3,(H,28,32)