6-chloranyl-3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]chromen-4-one Openeye Name: 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 6-chloro-3-[(1-cyclopentyl-5-tetrazolyl)-(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]chromen-4-one Traditional Name: 6-chloro-3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazino)methyl]chromone Formula: C26H27ClN6O2 MolecularWeight: 490.98458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)C(C3=COC4=C(C3=O)C=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)C(C3=COC4=C(C3=O)C=C(C=C4)Cl)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C26H27ClN6O2/c27-18-10-11-23-21(16-18)25(34)22(17-35-23)24(26-28-29-30-33(26)20-8-4-5-9-20)32-14-12-31(13-15-32)19-6-2-1-3-7-19/h1-3,6-7,10-11,16-17,20,24H,4-5,8-9,12-15H2