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

Systemtic Name: methyl 1-[2-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxyethyl]piperidine-2-carboxylate Openeye Name: methyl 1-[2-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxyethyl]piperidine-2-carboxylate CAS Name: 1-[2-[[6-nitro-4-(1-phenylethylamino)-7-quinazolinyl]oxy]ethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxyethyl]piperidine-2-carboxylate Traditional Name: 1-[2-[6-nitro-4-(1-phenylethylamino)quinazolin-7-yl]oxyethyl]pipecolinic acid methyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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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-])OCCN4CCCCC4C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])OCCN4CCCCC4C(=O)OC

InChI

InChI=1S/C25H29N5O5/c1-17(18-8-4-3-5-9-18)28-24-19-14-22(30(32)33)23(15-20(19)26-16-27-24)35-13-12-29-11-7-6-10-21(29)25(31)34-2/h3-5,8-9,14-17,21H,6-7,10-13H2,1-2H3,(H,26,27,28)