1-(diethylamino)propan-2-yl 6-methoxy-1-(4-nitrophenyl)isoquinoline-4-carboxylate

Systemtic Name: 1-(diethylamino)propan-2-yl 6-methoxy-1-(4-nitrophenyl)isoquinoline-4-carboxylate Openeye Name: [2-(diethylamino)-1-methyl-ethyl] 6-methoxy-1-(4-nitrophenyl)isoquinoline-4-carboxylate CAS Name: 6-methoxy-1-(4-nitrophenyl)-4-isoquinolinecarboxylic acid 1-(diethylamino)propan-2-yl ester IUPAC Name: 1-(diethylamino)propan-2-yl 6-methoxy-1-(4-nitrophenyl)isoquinoline-4-carboxylate Traditional Name: 6-methoxy-1-(4-nitrophenyl)isoquinoline-4-carboxylic acid [2-(diethylamino)-1-methyl-ethyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)OC(=O)C1=CN=C(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(C)OC(=O)C1=CN=C(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5/c1-5-26(6-2)15-16(3)32-24(28)22-14-25-23(17-7-9-18(10-8-17)27(29)30)20-12-11-19(31-4)13-21(20)22/h7-14,16H,5-6,15H2,1-4H3