2-[2-[[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-(1,2-benzoxazol-3-yl)-1-piperazinyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(4-indoxazen-3-ylpiperazino)methyl]pyrrol-1-yl]benzonitrile Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CN2C3=CC=CC=C3C#N)C4=NOC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CN2C3=CC=CC=C3C#N)C4=NOC5=CC=CC=C54

InChI

InChI=1S/C23H21N5O/c24-16-18-6-1-3-9-21(18)28-11-5-7-19(28)17-26-12-14-27(15-13-26)23-20-8-2-4-10-22(20)29-25-23/h1-11H,12-15,17H2