(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethylpiperazin-1-yl)methanone Openeye Name: (3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethylpiperazin-1-yl)methanone CAS Name: (3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: (3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethylpiperazin-1-yl)methanone Traditional Name: (3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-(4-phenethylpiperazino)methanone Formula: C26H26ClN3O2 MolecularWeight: 447.95654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)N3CC4=CC=CC=C4OC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)N3CC4=CC=CC=C4OC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C26H26ClN3O2/c27-22-10-11-25-23(18-22)30(19-21-8-4-5-9-24(21)32-25)26(31)29-16-14-28(15-17-29)13-12-20-6-2-1-3-7-20/h1-11,18H,12-17,19H2