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

Systemtic Name: 1-[3-[4-(3-azanylpropanoyl)piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-[3-[4-(3-aminopropanoyl)piperazin-1-yl]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile CAS Name: 1-[3-[4-(3-amino-1-oxopropyl)-1-piperazinyl]propoxy]-4-phenyl-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-[3-[4-(3-aminopropanoyl)piperazin-1-yl]propoxy]-4-phenylcyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-[3-[4-(3-aminopropanoyl)piperazino]propoxy]-4-phenyl-cyclohexa-2,5-diene-1-carbonitrile Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)C(=O)CCN

Isomeric SMILES

C1CN(CCN1CCCOC2(C=CC(C=C2)C3=CC=CC=C3)C#N)C(=O)CCN

InChI

InChI=1S/C23H30N4O2/c24-12-9-22(28)27-16-14-26(15-17-27)13-4-18-29-23(19-25)10-7-21(8-11-23)20-5-2-1-3-6-20/h1-3,5-8,10-11,21H,4,9,12-18,24H2