3-[methyl-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]amino]benzenecarbonitrile

Systemtic Name: 3-[methyl-[3-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]amino]benzenecarbonitrile Openeye Name: 3-[methyl-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]amino]benzonitrile CAS Name: 3-[methyl-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]propyl]amino]benzonitrile IUPAC Name: 3-[methyl-[3-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]propyl]amino]benzonitrile Traditional Name: 3-[3-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]propyl-methyl-amino]benzonitrile Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(CCCN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H25N5O2/c1-25(18-6-2-5-17(15-18)16-23)9-4-10-26-11-13-27(14-12-26)20-8-3-7-19-21(20)29-22(28)24-19/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,28)