1-[3-[4-[2-(methylamino)propanoyl]piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 1-[3-[4-[2-(methylamino)propanoyl]piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-[3-[4-[2-(methylamino)propanoyl]piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-[3-[4-[2-(methylamino)-1-oxopropyl]-1-piperazinyl]propoxy]-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-[3-[4-[2-(methylamino)propanoyl]piperazin-1-yl]propoxy]-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-[3-[4-[2-(methylamino)propanoyl]piperazino]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)NC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)NC

InChI

InChI=1S/C24H32N4O2/c1-20(26-2)23(29)28-16-14-27(15-17-28)13-6-18-30-24(19-25)11-9-22(10-12-24)21-7-4-3-5-8-21/h3-5,7-12,20,22,26H,6,13-18H2,1-2H3