2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-oxidanyl-propyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-hydroxy-propyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-hydroxypropyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)-2-hydroxy-propyl]piperazino]nicotinic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)C=CN(C3=CC=CC=C23)CC(CN4CCN(CC4)C5=C(C=CC=N5)C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C1)C=CN(C3=CC=CC=C23)CC(CN4CCN(CC4)C5=C(C=CC=N5)C(=O)O)O

InChI

InChI=1S/C27H30N4O3/c32-21(18-29-14-16-30(17-15-29)26-24(27(33)34)9-5-12-28-26)19-31-13-11-20-6-1-2-7-22(20)23-8-3-4-10-25(23)31/h1,3-6,8-13,21,32H,2,7,14-19H2,(H,33,34)