(2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: (2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: (2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: (2S)-N-[1-(2-diethylaminoethyl)-2-benzimidazolyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: (2S)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)[C@H](C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O3/c1-4-23(5-2)10-11-24-17-9-7-6-8-16(17)21-19(24)22-18(27)14(3)25-13-15(12-20-25)26(28)29/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,21,22,27)/t14-/m0/s1