4-[(3-chloranyl-5-piperazin-1-yl-phenyl)methyl]-7-methoxy-1,4-benzoxazin-3-one

Systemtic Name: 4-[(3-chloranyl-5-piperazin-1-yl-phenyl)methyl]-7-methoxy-1,4-benzoxazin-3-one Openeye Name: 4-[(3-chloro-5-piperazin-1-yl-phenyl)methyl]-7-methoxy-1,4-benzoxazin-3-one CAS Name: 4-[[3-chloro-5-(1-piperazinyl)phenyl]methyl]-7-methoxy-1,4-benzoxazin-3-one IUPAC Name: 4-[(3-chloro-5-piperazin-1-ylphenyl)methyl]-7-methoxy-1,4-benzoxazin-3-one Traditional Name: 4-(3-chloro-5-piperazino-benzyl)-7-methoxy-1,4-benzoxazin-3-one Formula: C20H22ClN3O3 MolecularWeight: 387.85998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC(=CC(=C3)Cl)N4CCNCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC(=CC(=C3)Cl)N4CCNCC4

InChI

InChI=1S/C20H22ClN3O3/c1-26-17-2-3-18-19(11-17)27-13-20(25)24(18)12-14-8-15(21)10-16(9-14)23-6-4-22-5-7-23/h2-3,8-11,22H,4-7,12-13H2,1H3