3-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonylchromen-2-one Openeye Name: 3-[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]chromen-2-one Traditional Name: 3-[(3S)-3-(4-phenylpiperazino)piperidine-1-carbonyl]coumarin Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3/c29-24(22-17-19-7-4-5-11-23(19)31-25(22)30)28-12-6-10-21(18-28)27-15-13-26(14-16-27)20-8-2-1-3-9-20/h1-5,7-9,11,17,21H,6,10,12-16,18H2/t21-/m0/s1