N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyrimidin-4-yl-benzamide

Systemtic Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyrimidin-4-yl-benzamide Openeye Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyrimidin-4-yl-benzamide CAS Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(4-pyrimidinyl)benzamide IUPAC Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyrimidin-4-ylbenzamide Traditional Name: N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(4-pyrimidyl)benzamide Formula: C25H26N4O MolecularWeight: 398.50014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C5=NC=NC=C5

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C5=NC=NC=C5

InChI

InChI=1S/C25H26N4O/c30-25(21-4-1-3-20(15-21)24-9-12-26-17-27-24)28-22-8-7-18-10-13-29(23-5-2-6-23)14-11-19(18)16-22/h1,3-4,7-9,12,15-17,23H,2,5-6,10-11,13-14H2,(H,28,30)