2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperazino]nicotinic acid Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCCN4CCN(CC4)C5=C(C=CC=N5)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCCN4CCN(CC4)C5=C(C=CC=N5)C(=O)O

InChI

InChI=1S/C28H32N4O2/c33-28(34)24-10-7-15-29-27(24)31-20-18-30(19-21-31)16-5-6-17-32-25-11-3-1-8-22(25)13-14-23-9-2-4-12-26(23)32/h1-4,7-12,15H,5-6,13-14,16-21H2,(H,33,34)