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

Systemtic Name: 3-[methyl-[2-[4-(2-oxidanylidene-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]amino]benzenecarbonitrile Openeye Name: 3-[methyl-[2-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]amino]benzonitrile CAS Name: 3-[methyl-[2-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-piperazinyl]ethyl]amino]benzonitrile IUPAC Name: 3-[methyl-[2-[4-(2-oxo-3H-1,3-benzoxazol-7-yl)piperazin-1-yl]ethyl]amino]benzonitrile Traditional Name: 3-[2-[4-(2-keto-3H-1,3-benzoxazol-7-yl)piperazino]ethyl-methyl-amino]benzonitrile Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(CCN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N5O2/c1-24(17-5-2-4-16(14-17)15-22)8-9-25-10-12-26(13-11-25)19-7-3-6-18-20(19)28-21(27)23-18/h2-7,14H,8-13H2,1H3,(H,23,27)