2-[3-morpholin-4-ylpropyl-(phenylmethyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone

Systemtic Name: 2-[3-morpholin-4-ylpropyl-(phenylmethyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone Openeye Name: 2-[benzyl(3-morpholinopropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone CAS Name: 2-[3-(4-morpholinyl)propyl-(phenylmethyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone IUPAC Name: 2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanone Traditional Name: 2-[benzyl(3-morpholinopropyl)amino]-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)ethanone Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C=C(C=C2)C(=O)CN(CCCN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)C=C(C=C2)C(=O)CN(CCCN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O2/c30-27(26-13-12-24-10-5-2-6-11-25(24)20-26)22-29(21-23-8-3-1-4-9-23)15-7-14-28-16-18-31-19-17-28/h1,3-4,8-9,12-13,20H,2,5-7,10-11,14-19,21-22H2