4-[[[2-[(2-cyanophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[[2-[(2-cyanophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[[2-[(2-cyanophenyl)carbamoylamino]-2-oxo-ethyl]-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[2-[[(2-cyanoanilino)-oxomethyl]amino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[[2-[(2-cyanophenyl)carbamoylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[[2-[(2-cyanophenyl)carbamoylamino]-2-keto-ethyl]-cyclopropyl-amino]methyl]benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(=O)NC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N5O3/c22-11-16-3-1-2-4-18(16)24-21(29)25-19(27)13-26(17-9-10-17)12-14-5-7-15(8-6-14)20(23)28/h1-8,17H,9-10,12-13H2,(H2,23,28)(H2,24,25,27,29)