3-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-methoxy-4-methyl-chromen-2-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)-3-oxo-propyl]-7-methoxy-4-methyl-chromen-2-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]-3-oxopropyl]-7-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)-3-keto-propyl]-7-methoxy-4-methyl-coumarin Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N2O4/c1-22-26-14-13-25(36-2)21-28(26)37-31(35)27(22)15-16-29(34)32-17-19-33(20-18-32)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21,30H,15-20H2,1-2H3