N-[azanyl(cyclohexa-1,5-dien-1-yl)methylidene]-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[azanyl(cyclohexa-1,5-dien-1-yl)methylidene]-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[amino(cyclohexa-1,5-dien-1-yl)methylene]-1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: N-[amino(1-cyclohexa-1,5-dienyl)methylidene]-1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[amino(cyclohexa-1,5-dien-1-yl)methylidene]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[amino(cyclohexa-1,5-dien-1-yl)methylene]-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)N=C(C3=CCCC=C3)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)N=C(C3=CCCC=C3)N

InChI

InChI=1S/C21H26N4O2/c22-17(14-15-8-3-1-4-9-15)21(27)25-13-7-12-18(25)20(26)24-19(23)16-10-5-2-6-11-16/h1,3-5,8-11,17-18H,2,6-7,12-14,22H2,(H2,23,24,26)