3-[4-(3-methyl-2-pyridin-3-yl-indol-1-yl)butyl-phenylmethoxy-phosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[4-(3-methyl-2-pyridin-3-yl-indol-1-yl)butyl-phenylmethoxy-phosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[benzyloxy-[4-[3-methyl-2-(3-pyridyl)indol-1-yl]butyl]phosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[4-[3-methyl-2-(3-pyridinyl)-1-indolyl]butyl-phenylmethoxyphosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[4-(3-methyl-2-pyridin-3-ylindol-1-yl)butyl-phenylmethoxyphosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[benzoxy-[4-[3-methyl-2-(3-pyridyl)indol-1-yl]butyl]phosphoryl]oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C35H36N3O4P MolecularWeight: 593.651801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCCCP(=O)(OCC3=CC=CC=C3)OC4CCC5=CC=CC=C5NC4=O)C6=CN=CC=C6

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCCCP(=O)(OCC3=CC=CC=C3)OC4CCC5=CC=CC=C5NC4=O)C6=CN=CC=C6

InChI

InChI=1S/C35H36N3O4P/c1-26-30-16-6-8-18-32(30)38(34(26)29-15-11-21-36-24-29)22-9-10-23-43(40,41-25-27-12-3-2-4-13-27)42-33-20-19-28-14-5-7-17-31(28)37-35(33)39/h2-8,11-18,21,24,33H,9-10,19-20,22-23,25H2,1H3,(H,37,39)