3-(chloromethyl)-2-[[5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-3-yl]amino]benzenecarbonitrile

Systemtic Name: 3-(chloromethyl)-2-[[5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-3-yl]amino]benzenecarbonitrile Openeye Name: 2-[(1-benzyl-5-oxo-2H-pyrrol-3-yl)amino]-3-(chloromethyl)benzonitrile CAS Name: 3-(chloromethyl)-2-[[5-oxo-1-(phenylmethyl)-2H-pyrrol-3-yl]amino]benzonitrile IUPAC Name: 2-[(1-benzyl-5-oxo-2H-pyrrol-3-yl)amino]-3-(chloromethyl)benzonitrile Traditional Name: 2-[(1-benzyl-5-keto-3-pyrrolin-3-yl)amino]-3-(chloromethyl)benzonitrile Formula: C19H16ClN3O MolecularWeight: 337.80284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=O)N1CC2=CC=CC=C2)NC3=C(C=CC=C3CCl)C#N

Isomeric SMILES

C1C(=CC(=O)N1CC2=CC=CC=C2)NC3=C(C=CC=C3CCl)C#N

InChI

InChI=1S/C19H16ClN3O/c20-10-15-7-4-8-16(11-21)19(15)22-17-9-18(24)23(13-17)12-14-5-2-1-3-6-14/h1-9,22H,10,12-13H2