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

Systemtic Name: 6-phenylmethoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 6-benzyloxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 6-phenylmethoxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 6-phenylmethoxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 6-benzoxy-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C28H31N5O4 MolecularWeight: 501.57684

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O4/c34-25-21-37-24-11-6-10-23(36-20-22-8-2-1-3-9-22)26(24)27(35)33(25)15-5-4-14-31-16-18-32(19-17-31)28-29-12-7-13-30-28/h1-3,6-13H,4-5,14-21H2