4-[4-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[4-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[4-[4-(3-chloro-2-pyridyl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[4-[4-(3-chloro-2-pyridinyl)-1-piperazinyl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[4-[4-(3-chloropyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[4-[4-(3-chloro-2-pyridyl)piperazino]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C22H29ClN4O/c23-20-7-5-9-24-22(20)27-14-12-25(13-15-27)10-3-4-11-26-16-17-28-21-8-2-1-6-19(21)18-26/h1-2,5-9H,3-4,10-18H2