3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol hydrate

Systemtic Name: 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol hydrate Openeye Name: 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(1-piperidylmethyl)benzofuran-5-ol hydrate CAS Name: 3-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-4-(1-piperidinylmethyl)-5-benzofuranol hydrate IUPAC Name: 3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-4-(piperidin-1-ylmethyl)-1-benzofuran-5-ol hydrate Traditional Name: 3-phenyl-2-[(4-phenylpiperazino)methyl]-4-(piperidinomethyl)benzofuran-5-ol hydrate Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)O.O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)O.O

InChI

InChI=1S/C31H35N3O2.H2O/c35-27-14-15-28-31(26(27)22-32-16-8-3-9-17-32)30(24-10-4-1-5-11-24)29(36-28)23-33-18-20-34(21-19-33)25-12-6-2-7-13-25;/h1-2,4-7,10-15,35H,3,8-9,16-23H2;1H2