azepan-1-yl-tert-butyl-(4-nitrophenyl)imino-pyridin-4-yl-$l^{5}-phosphane

Systemtic Name: azepan-1-yl-tert-butyl-(4-nitrophenyl)imino-pyridin-4-yl-$l^{5}-phosphane Openeye Name: azepan-1-yl-tert-butyl-(4-nitrophenyl)imino-(4-pyridyl)-$l^{5}-phosphane CAS Name: 1-azepanyl-tert-butyl-(4-nitrophenyl)imino-pyridin-4-ylphosphorane IUPAC Name: azepan-1-yl-tert-butyl-(4-nitrophenyl)imino-pyridin-4-yl-$l^{5}-phosphane Traditional Name: azepan-1-yl-tert-butyl-(4-nitrophenyl)imino-(4-pyridyl)phosphorane Formula: C21H29N4O2P MolecularWeight: 400.454321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=NC=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)[P@](=NC1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=NC=C2)N3CCCCCC3

InChI

InChI=1S/C21H29N4O2P/c1-21(2,3)28(20-12-14-22-15-13-20,24-16-6-4-5-7-17-24)23-18-8-10-19(11-9-18)25(26)27/h8-15H,4-7,16-17H2,1-3H3/t28-/m0/s1