[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: (4-benzylpiperidino)-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3/c26-22(18-6-9-20(23-19-7-8-19)21(15-18)25(27)28)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-6,9,15,17,19,23H,7-8,10-14H2