N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-nitro-2-piperidino-benzamide Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5

InChI

InChI=1S/C22H23N7O3/c30-22(19-14-18(29(31)32)9-10-20(19)27-11-2-1-3-12-27)23-16-6-4-5-15(13-16)21-24-25-26-28(21)17-7-8-17/h4-6,9-10,13-14,17H,1-3,7-8,11-12H2,(H,23,30)