4-imidazol-1-yl-3-nitro-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-21(23-18-8-10-24(14-18)13-16-4-2-1-3-5-16)17-6-7-19(20(12-17)26(28)29)25-11-9-22-15-25/h1-7,9,11-12,15,18H,8,10,13-14H2,(H,23,27)