N-(2-cyanoethyl)-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-(phenylmethyl)propanamide

Systemtic Name: N-(2-cyanoethyl)-3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(2-cyanoethyl)-3-(4-imidazol-1-yl-2-nitro-anilino)propanamide CAS Name: N-(2-cyanoethyl)-3-[4-(1-imidazolyl)-2-nitroanilino]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(2-cyanoethyl)-3-(4-imidazol-1-yl-2-nitroanilino)propanamide Traditional Name: N-benzyl-N-(2-cyanoethyl)-3-(4-imidazol-1-yl-2-nitro-anilino)propionamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c23-10-4-13-26(16-18-5-2-1-3-6-18)22(29)9-11-25-20-8-7-19(15-21(20)28(30)31)27-14-12-24-17-27/h1-3,5-8,12,14-15,17,25H,4,9,11,13,16H2