[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(1,2-benzoxazol-3-ylmethyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(indoxazen-3-ylmethyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O5/c1-4-30-22-15-18(16-23(31-5-2)24(22)32-6-3)25(29)28-13-11-27(12-14-28)17-20-19-9-7-8-10-21(19)33-26-20/h7-10,15-16H,4-6,11-14,17H2,1-3H3