4-(1H-indol-3-ylmethyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(1H-indol-3-ylmethyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(1H-indol-3-ylmethyl)-7-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(1H-indol-3-ylmethyl)-7-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(1H-indol-3-ylmethyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(1H-indol-3-ylmethyl)-7-[[4-(2-pyridylmethyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H33N5O MolecularWeight: 467.60522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CNC5=CC=CC=C54)CC6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CNC5=CC=CC=C54)CC6=CC=CC=N6

InChI

InChI=1S/C29H33N5O/c1-2-7-28-27(6-1)25(18-31-28)21-34-15-16-35-29-9-8-23(17-24(29)20-34)19-32-11-13-33(14-12-32)22-26-5-3-4-10-30-26/h1-10,17-18,31H,11-16,19-22H2