3-(4-chloranyl-3-nitro-phenyl)carbonyl-N-di(piperidin-1-yl)phosphoryl-2-methyl-indolizine-1-carboxamide

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)carbonyl-N-di(piperidin-1-yl)phosphoryl-2-methyl-indolizine-1-carboxamide Openeye Name: N-[bis(1-piperidyl)phosphoryl]-3-(4-chloro-3-nitro-benzoyl)-2-methyl-indolizine-1-carboxamide CAS Name: N-[bis(1-piperidinyl)phosphoryl]-3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-methyl-1-indolizinecarboxamide IUPAC Name: 3-(4-chloro-3-nitrobenzoyl)-N-di(piperidin-1-yl)phosphoryl-2-methylindolizine-1-carboxamide Traditional Name: 3-(4-chloro-3-nitro-benzoyl)-N-dipiperidinophosphoryl-2-methyl-indolizine-1-carboxamide Formula: C27H31ClN5O5P MolecularWeight: 571.992301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C(=O)NP(=O)(N3CCCCC3)N4CCCCC4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1C(=O)NP(=O)(N3CCCCC3)N4CCCCC4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H31ClN5O5P/c1-19-24(27(35)29-39(38,30-13-5-2-6-14-30)31-15-7-3-8-16-31)22-10-4-9-17-32(22)25(19)26(34)20-11-12-21(28)23(18-20)33(36)37/h4,9-12,17-18H,2-3,5-8,13-16H2,1H3,(H,29,35,38)