2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]piperazino]nicotinonitrile Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C23H29N5O/c24-18-20-7-5-9-25-23(20)28-14-12-26(13-15-28)10-3-4-11-27-16-17-29-22-8-2-1-6-21(22)19-27/h1-2,5-9H,3-4,10-17,19H2