4-azanyl-5-ethanoyl-1-(4-phenylmethoxyphenyl)pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-5-ethanoyl-1-(4-phenylmethoxyphenyl)pyrrole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(4-benzyloxyphenyl)pyrrole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(4-phenylmethoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(4-phenylmethoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(4-benzoxyphenyl)pyrrole-3-carbonitrile Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CN1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=CN1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N

InChI

InChI=1S/C20H17N3O2/c1-14(24)20-19(22)16(11-21)12-23(20)17-7-9-18(10-8-17)25-13-15-5-3-2-4-6-15/h2-10,12H,13,22H2,1H3