4-[4-(phenylmethyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)chromen-2-one CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]-3-(1-pyrrolidinylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-benzylpiperazino)-3-(pyrrolidinomethyl)coumarin Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=C(C3=CC=CC=C3OC2=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2/c29-25-22(19-26-12-6-7-13-26)24(21-10-4-5-11-23(21)30-25)28-16-14-27(15-17-28)18-20-8-2-1-3-9-20/h1-5,8-11H,6-7,12-19H2