1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)-2-benzimidazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-4-nitro-pyrazole-3-carboxamide Formula: C27H35N7O3 MolecularWeight: 505.6119

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N7O3/c1-3-31(4-2)9-10-32-22-8-6-5-7-21(22)28-26(32)29-25(35)24-23(34(36)37)17-33(30-24)27-14-18-11-19(15-27)13-20(12-18)16-27/h5-8,17-20H,3-4,9-16H2,1-2H3,(H,28,29,35)