ethyl 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylate

Systemtic Name: ethyl 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylate Openeye Name: ethyl 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylate CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-5-methyl-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methylpyridine-4-carboxylate Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-5-methyl-isonicotinic acid ethyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1C)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1C)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2/c1-3-33-28(32)26-20-27(29-21-22(26)2)31-18-16-30(17-19-31)15-14-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,20-21,25H,3,14-19H2,1-2H3