4-[4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]butyl]-8-chloranyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]butyl]-8-chloranyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(3-amino-2-pyridyl)piperazin-1-yl]butyl]-8-chloro-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(3-amino-2-pyridinyl)-1-piperazinyl]butyl]-8-chloro-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(3-aminopyridin-2-yl)piperazin-1-yl]butyl]-8-chloro-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(3-amino-2-pyridyl)piperazino]butyl]-8-chloro-1,4-benzoxazepine-3,5-quinone Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=C(C=CC=N4)N

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=C(C2=O)C=CC(=C3)Cl)C4=C(C=CC=N4)N

InChI

InChI=1S/C22H26ClN5O3/c23-16-5-6-17-19(14-16)31-15-20(29)28(22(17)30)9-2-1-8-26-10-12-27(13-11-26)21-18(24)4-3-7-25-21/h3-7,14H,1-2,8-13,15,24H2