6-phenylmethoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 6-phenylmethoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 6-benzyloxy-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 6-phenylmethoxy-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 6-phenylmethoxy-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 6-benzoxy-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C(=CC=C3)OCC4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H32N4O4/c34-27-22-37-25-12-8-11-24(36-21-23-9-2-1-3-10-23)28(25)29(35)33(27)16-7-6-15-31-17-19-32(20-18-31)26-13-4-5-14-30-26/h1-5,8-14H,6-7,15-22H2