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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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