ethyl 1-[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(3-chloro-4-methylanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chloro-4-methylanilino)isoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-chloro-4-methyl-anilino)isoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C25H26ClN3O3/c1-3-32-25(31)17-10-12-29(13-11-17)24(30)21-15-27-23(20-7-5-4-6-19(20)21)28-18-9-8-16(2)22(26)14-18/h4-9,14-15,17H,3,10-13H2,1-2H3,(H,27,28)