3-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4,8-dimethyl-chromen-2-one

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-7-methoxy-4,8-dimethyl-chromen-2-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-7-methoxy-4,8-dimethyl-chromen-2-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-7-methoxy-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-7-methoxy-4,8-dimethylchromen-2-one Traditional Name: 3-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-7-methoxy-4,8-dimethyl-coumarin Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-21-25-14-15-27(36-3)22(2)30(25)37-31(35)26(21)20-28(34)32-16-18-33(19-17-32)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,29H,16-20H2,1-3H3