4-(aminomethyl)-N-[2-oxidanylidene-2-[2-(3-phenylpropanoylamino)ethylamino]ethyl]benzamide

Systemtic Name: 4-(aminomethyl)-N-[2-oxidanylidene-2-[2-(3-phenylpropanoylamino)ethylamino]ethyl]benzamide Openeye Name: 4-(aminomethyl)-N-[2-oxo-2-[2-(3-phenylpropanoylamino)ethylamino]ethyl]benzamide CAS Name: 4-(aminomethyl)-N-[2-oxo-2-[2-[(1-oxo-3-phenylpropyl)amino]ethylamino]ethyl]benzamide IUPAC Name: 4-(aminomethyl)-N-[2-oxo-2-[2-(3-phenylpropanoylamino)ethylamino]ethyl]benzamide Traditional Name: 4-(aminomethyl)-N-[2-[2-(hydrocinnamoylamino)ethylamino]-2-keto-ethyl]benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCNC(=O)CNC(=O)C2=CC=C(C=C2)CN

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCNC(=O)CNC(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C21H26N4O3/c22-14-17-6-9-18(10-7-17)21(28)25-15-20(27)24-13-12-23-19(26)11-8-16-4-2-1-3-5-16/h1-7,9-10H,8,11-15,22H2,(H,23,26)(H,24,27)(H,25,28)