2-methyl-N-[4-[2-(7-pyrimidin-5-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide

Systemtic Name: 2-methyl-N-[4-[2-(7-pyrimidin-5-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide Openeye Name: 2-methyl-N-[4-[2-(7-pyrimidin-5-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide CAS Name: 2-methyl-N-[4-[2-[7-(5-pyrimidinyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-5-quinolinecarboxamide IUPAC Name: 2-methyl-N-[4-[2-(7-pyrimidin-5-yl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide Traditional Name: 2-methyl-N-[4-[2-[7-(5-pyrimidyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]quinoline-5-carboxamide Formula: C33H37N5O MolecularWeight: 519.67978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C=C1)C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)C=C(C=C5)C6=CN=CN=C6

Isomeric SMILES

CC1=NC2=CC=CC(=C2C=C1)C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)C=C(C=C5)C6=CN=CN=C6

InChI

InChI=1S/C33H37N5O/c1-23-5-12-30-31(3-2-4-32(30)36-23)33(39)37-29-10-6-24(7-11-29)13-16-38-17-14-25-8-9-26(19-27(25)15-18-38)28-20-34-22-35-21-28/h2-5,8-9,12,19-22,24,29H,6-7,10-11,13-18H2,1H3,(H,37,39)