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

Systemtic Name: 3-[methyl-[4-[4-(3-methyl-2-oxidanylidene-1,3-benzoxazol-7-yl)piperazin-1-yl]butyl]amino]benzenecarbonitrile Openeye Name: 3-[methyl-[4-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperazin-1-yl]butyl]amino]benzonitrile CAS Name: 3-[methyl-[4-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)-1-piperazinyl]butyl]amino]benzonitrile IUPAC Name: 3-[methyl-[4-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperazin-1-yl]butyl]amino]benzonitrile Traditional Name: 3-[4-[4-(2-keto-3-methyl-1,3-benzoxazol-7-yl)piperazino]butyl-methyl-amino]benzonitrile Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCCCN(C)C4=CC=CC(=C4)C#N)OC1=O

Isomeric SMILES

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCCCN(C)C4=CC=CC(=C4)C#N)OC1=O

InChI

InChI=1S/C24H29N5O2/c1-26(20-8-5-7-19(17-20)18-25)11-3-4-12-28-13-15-29(16-14-28)22-10-6-9-21-23(22)31-24(30)27(21)2/h5-10,17H,3-4,11-16H2,1-2H3