4-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-7-methoxy-chromen-2-one CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-7-methoxychromen-2-one Traditional Name: 4-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-7-methoxy-coumarin Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O4/c1-34-24-12-13-25-23(19-28(33)35-26(25)20-24)18-27(32)30-14-16-31(17-15-30)29(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,19-20,29H,14-18H2,1H3