3-[4-(diphenylmethyl)piperazin-1-yl]carbonylchromen-2-one hydrochloride

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]carbonylchromen-2-one hydrochloride Openeye Name: 3-(4-benzhydrylpiperazine-1-carbonyl)chromen-2-one hydrochloride CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 3-(4-benzhydrylpiperazine-1-carbonyl)chromen-2-one hydrochloride Traditional Name: 3-(4-benzhydrylpiperazine-1-carbonyl)coumarin hydrochloride Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O.Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O.Cl

InChI

InChI=1S/C27H24N2O3.ClH/c30-26(23-19-22-13-7-8-14-24(22)32-27(23)31)29-17-15-28(16-18-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-14,19,25H,15-18H2;1H