4-[4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-[4-(6-chloranylpyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(6-chloro-2-pyrazinyl)-1-piperazinyl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(6-chloropyrazin-2-yl)piperazino]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CN=CC(=N4)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)COC3=CC=CC=C3C2=O)C4=CN=CC(=N4)Cl

InChI

InChI=1S/C21H24ClN5O3/c22-18-13-23-14-19(24-18)26-11-9-25(10-12-26)7-3-4-8-27-20(28)15-30-17-6-2-1-5-16(17)21(27)29/h1-2,5-6,13-14H,3-4,7-12,15H2