methyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-azanyl-7-[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: methyl 2-[1-amino-7-[4-[(E)-1-piperidyliminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-amino-7-[oxo-[4-[(E)-1-piperidinyliminomethyl]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-amino-7-[4-[(E)-piperidin-1-yliminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-amino-7-[4-[(E)-piperidinoiminomethyl]benzoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC2=C(C1N)C=C(C=C2)C(=O)C3=CC=C(C=C3)C=NN4CCCCC4

Isomeric SMILES

COC(=O)CN1CCC2=C(C1N)C=C(C=C2)C(=O)C3=CC=C(C=C3)/C=N/N4CCCCC4

InChI

InChI=1S/C25H30N4O3/c1-32-23(30)17-28-14-11-19-9-10-21(15-22(19)25(28)26)24(31)20-7-5-18(6-8-20)16-27-29-12-3-2-4-13-29/h5-10,15-16,25H,2-4,11-14,17,26H2,1H3/b27-16+