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

Systemtic Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(1,2-benzoxazol-3-ylmethyl)-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(indoxazen-3-ylmethyl)piperazino]methanone Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NOC4=CC=CC=C43)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NOC4=CC=CC=C43)OCC

InChI

InChI=1S/C23H27N3O4/c1-3-28-21-10-9-17(15-22(21)29-4-2)23(27)26-13-11-25(12-14-26)16-19-18-7-5-6-8-20(18)30-24-19/h5-10,15H,3-4,11-14,16H2,1-2H3