N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cycloheptyl)-4-nitro-N-propyl-benzamide

Systemtic Name: N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cycloheptyl)-4-nitro-N-propyl-benzamide Openeye Name: N-(3,3-dimethoxy-2-pyrrolidin-1-yl-cycloheptyl)-4-nitro-N-propyl-benzamide CAS Name: N-[3,3-dimethoxy-2-(1-pyrrolidinyl)cycloheptyl]-4-nitro-N-propylbenzamide IUPAC Name: N-(3,3-dimethoxy-2-pyrrolidin-1-ylcycloheptyl)-4-nitro-N-propylbenzamide Traditional Name: N-(3,3-dimethoxy-2-pyrrolidino-cycloheptyl)-4-nitro-N-propyl-benzamide Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCCCC(C1N2CCCC2)(OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(C1CCCCC(C1N2CCCC2)(OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H35N3O5/c1-4-15-25(22(27)18-10-12-19(13-11-18)26(28)29)20-9-5-6-14-23(30-2,31-3)21(20)24-16-7-8-17-24/h10-13,20-21H,4-9,14-17H2,1-3H3