2-[(4-carbamimidoylphenyl)amino]-2-[4-(dimethylamino)-3-nitro-phenyl]-N-phenethyl-ethanamide hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(dimethylamino)-3-nitro-phenyl]-N-phenethyl-ethanamide hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[4-(dimethylamino)-3-nitro-phenyl]-N-phenethyl-acetamide hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(dimethylamino)-3-nitrophenyl]-N-phenethylacetamide hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4-(dimethylamino)-3-nitrophenyl]-N-phenethylacetamide hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-(dimethylamino)-3-nitro-phenyl]-N-phenethyl-acetamide hydrochloride Formula: C25H29ClN6O3 MolecularWeight: 496.98916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(C(=O)NCCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(C(=O)NCCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C25H28N6O3.ClH/c1-30(2)21-13-10-19(16-22(21)31(33)34)23(29-20-11-8-18(9-12-20)24(26)27)25(32)28-15-14-17-6-4-3-5-7-17;/h3-13,16,23,29H,14-15H2,1-2H3,(H3,26,27)(H,28,32);1H