3-[4-methoxy-3-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-oxidanyl-propanenitrile

Systemtic Name: 3-[4-methoxy-3-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-oxidanyl-propanenitrile Openeye Name: 3-[3-[3-(4-benzylpiperazin-1-yl)propoxy]-4-methoxy-phenyl]-3-hydroxy-propanenitrile CAS Name: 3-hydroxy-3-[4-methoxy-3-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]phenyl]propanenitrile IUPAC Name: 3-[3-[3-(4-benzylpiperazin-1-yl)propoxy]-4-methoxyphenyl]-3-hydroxypropanenitrile Traditional Name: 3-[3-[3-(4-benzylpiperazino)propoxy]-4-methoxy-phenyl]-3-hydroxy-propionitrile Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC#N)O)OCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC#N)O)OCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-29-23-9-8-21(22(28)10-11-25)18-24(23)30-17-5-12-26-13-15-27(16-14-26)19-20-6-3-2-4-7-20/h2-4,6-9,18,22,28H,5,10,12-17,19H2,1H3