ethyl 4-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-[3-(3-pyridyl)propylamino]-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[4-[3-(3-pyridinyl)propylamino]-1-piperidinyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[3-(3-pyridyl)propylamino]piperidino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCC4=CN=CC=C4

InChI

InChI=1S/C27H37N5O3/c1-2-35-27(34)32-19-17-31(18-20-32)26(33)23-7-9-25(10-8-23)30-15-11-24(12-16-30)29-14-4-6-22-5-3-13-28-21-22/h3,5,7-10,13,21,24,29H,2,4,6,11-12,14-20H2,1H3