4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazino)methyl]-6,7-dihydroxy-coumarin Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c30-23-16-22-21(15-26(32)33-25(22)17-24(23)31)18-28-11-13-29(14-12-28)27(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-17,27,30-31H,11-14,18H2