4-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-[4-(4-tert-butylbenzoyl)piperazino]ethylamino]coumarin Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)20-10-8-19(9-11-20)25(31)29-16-14-28(15-17-29)13-12-27-22-18-24(30)32-23-7-5-4-6-21(22)23/h4-11,18,27H,12-17H2,1-3H3