7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27N3O MolecularWeight: 385.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC=NC=C5

InChI

InChI=1S/C25H27N3O/c1-2-4-23-18-27(12-9-22(23)3-1)17-21-5-6-25-24(15-21)19-28(13-14-29-25)16-20-7-10-26-11-8-20/h1-8,10-11,15H,9,12-14,16-19H2