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

Systemtic Name: 2-[1-methyl-7-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: 2-[1-methyl-7-[[4-[(E)-1-piperidyliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[1-methyl-7-[oxo-[4-[(E)-1-piperidinyliminomethyl]anilino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate IUPAC Name: 2-[1-methyl-7-[[4-[(E)-piperidin-1-yliminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[1-methyl-7-[[4-[(E)-piperidinoiminomethyl]phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetate Formula: C25H29N4O3- MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)NC3=CC=C(C=C3)C=NN4CCCCC4

Isomeric SMILES

CC1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)NC3=CC=C(C=C3)/C=N/N4CCCCC4

InChI

InChI=1S/C25H30N4O3/c1-18-23-15-21(8-7-20(23)11-14-28(18)17-24(30)31)25(32)27-22-9-5-19(6-10-22)16-26-29-12-3-2-4-13-29/h5-10,15-16,18H,2-4,11-14,17H2,1H3,(H,27,32)(H,30,31)/p-1/b26-16+