4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(C3=CC(=CC=C3)OC)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC[C@H](C3=CC(=CC=C3)OC)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O4/c1-18-25(31(33)34)19(2)30(28-18)17-20-9-11-21(12-10-20)26(32)27-16-24(29-13-4-5-14-29)22-7-6-8-23(15-22)35-3/h6-12,15,24H,4-5,13-14,16-17H2,1-3H3,(H,27,32)/t24-/m1/s1