4-[2-[4-(3-butoxyphenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-(3-butoxyphenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-(3-butoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-[(3-butoxyphenyl)-oxomethyl]-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-(3-butoxybenzoyl)piperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-[4-(3-butoxybenzoyl)piperazino]ethylamino]coumarin Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O4/c1-2-3-17-32-21-8-6-7-20(18-21)26(31)29-15-13-28(14-16-29)12-11-27-23-19-25(30)33-24-10-5-4-9-22(23)24/h4-10,18-19,27H,2-3,11-17H2,1H3