N-[4-[2-[7-acetamido-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[7-acetamido-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[7-acetamido-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]phenyl]acetamide CAS Name: N-[4-[2-[7-acetamido-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[7-acetamido-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]phenyl]acetamide Traditional Name: N-[4-[2-[7-acetamido-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]phenyl]acetamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CCC3=C(C2CN4CCCC4)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CCC3=C(C2CN4CCCC4)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C26H32N4O3/c1-18(31)27-22-8-5-20(6-9-22)15-26(33)30-14-11-21-7-10-23(28-19(2)32)16-24(21)25(30)17-29-12-3-4-13-29/h5-10,16,25H,3-4,11-15,17H2,1-2H3,(H,27,31)(H,28,32)