N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-pyrrol-1-yl-benzamide Openeye Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-3-pyrrol-1-yl-benzamide CAS Name: N-[[1-(cyanomethyl)-3-indolyl]methylideneamino]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-3-pyrrol-1-ylbenzamide Traditional Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-3-pyrrol-1-yl-benzamide Formula: C22H17N5O MolecularWeight: 367.40328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H17N5O/c23-10-13-27-16-18(20-8-1-2-9-21(20)27)15-24-25-22(28)17-6-5-7-19(14-17)26-11-3-4-12-26/h1-9,11-12,14-16H,13H2,(H,25,28)