3,7-bis(chloranyl)-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-bis(chloranyl)-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dichloro-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dichloro-4-[4-[4-(4-quinazolinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dichloro-4-[4-(4-quinazolin-4-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dichloro-4-[4-(4-quinazolin-4-ylpiperazino)butyl]-1,4-benzoxazepin-5-one Formula: C25H25Cl2N5O2 MolecularWeight: 498.4043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=C(C=C3)Cl)Cl)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=C(C=C3)Cl)Cl)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C25H25Cl2N5O2/c26-18-7-8-22-20(15-18)25(33)32(23(27)16-34-22)10-4-3-9-30-11-13-31(14-12-30)24-19-5-1-2-6-21(19)28-17-29-24/h1-2,5-8,15-17H,3-4,9-14H2