ethyl 4-[3-(butan-2-ylamino)propyl]-1-phenyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-[3-(butan-2-ylamino)propyl]-1-phenyl-isoquinoline-3-carboxylate Openeye Name: ethyl 1-phenyl-4-[3-(sec-butylamino)propyl]isoquinoline-3-carboxylate CAS Name: 4-[3-(butan-2-ylamino)propyl]-1-phenyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(butan-2-ylamino)propyl]-1-phenylisoquinoline-3-carboxylate Traditional Name: 1-phenyl-4-[3-(sec-butylamino)propyl]isoquinoline-3-carboxylic acid ethyl ester Formula: C25H30N2O2 MolecularWeight: 390.5179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)NCCCC1=C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H30N2O2/c1-4-18(3)26-17-11-16-22-20-14-9-10-15-21(20)23(19-12-7-6-8-13-19)27-24(22)25(28)29-5-2/h6-10,12-15,18,26H,4-5,11,16-17H2,1-3H3