methyl 1-[4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Openeye Name: methyl 1-[4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate CAS Name: 1-[4-[[6-nitro-4-(1-phenylethylamino)-7-quinazolinyl]oxy]butyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]piperidine-2-carboxylate Traditional Name: 1-[4-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxybutyl]pipecolinic acid methyl ester Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCN4CCCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCCCN4CCCCC4C(=O)OC

InChI

InChI=1S/C27H33N5O5/c1-19(20-10-4-3-5-11-20)30-26-21-16-24(32(34)35)25(17-22(21)28-18-29-26)37-15-9-8-14-31-13-7-6-12-23(31)27(33)36-2/h3-5,10-11,16-19,23H,6-9,12-15H2,1-2H3,(H,28,29,30)