1-[3-(4-azanyl-3-nitro-phenyl)prop-2-ynyl]-4-(phenylmethyl)piperidin-4-ol

Systemtic Name: 1-[3-(4-azanyl-3-nitro-phenyl)prop-2-ynyl]-4-(phenylmethyl)piperidin-4-ol Openeye Name: 1-[3-(4-amino-3-nitro-phenyl)prop-2-ynyl]-4-benzyl-piperidin-4-ol CAS Name: 1-[3-(4-amino-3-nitrophenyl)prop-2-ynyl]-4-(phenylmethyl)-4-piperidinol IUPAC Name: 1-[3-(4-amino-3-nitrophenyl)prop-2-ynyl]-4-benzylpiperidin-4-ol Traditional Name: 1-[3-(4-amino-3-nitro-phenyl)prop-2-ynyl]-4-benzyl-piperidin-4-ol Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c22-19-9-8-17(15-20(19)24(26)27)7-4-12-23-13-10-21(25,11-14-23)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,25H,10-14,16,22H2