N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide hydrate

Systemtic Name: N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide hydrate Openeye Name: N-[3-cyano-4-[4-(1-piperidyl)-1-piperidyl]phenyl]benzothiophene-2-carboxamide hydrate CAS Name: N-[3-cyano-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-1-benzothiophene-2-carboxamide hydrate IUPAC Name: N-[3-cyano-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide hydrate Traditional Name: N-[3-cyano-4-(4-piperidinopiperidino)phenyl]benzothiophene-2-carboxamide hydrate Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4)C#N.O

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5S4)C#N.O

InChI

InChI=1S/C26H28N4OS.H2O/c27-18-20-16-21(28-26(31)25-17-19-6-2-3-7-24(19)32-25)8-9-23(20)30-14-10-22(11-15-30)29-12-4-1-5-13-29;/h2-3,6-9,16-17,22H,1,4-5,10-15H2,(H,28,31);1H2