2-[2-(morpholin-4-ylmethyl)-4-pyrazin-2-yl-phenoxy]-1-[(4R)-4-phenylazepan-1-yl]ethanone

Systemtic Name: 2-[2-(morpholin-4-ylmethyl)-4-pyrazin-2-yl-phenoxy]-1-[(4R)-4-phenylazepan-1-yl]ethanone Openeye Name: 2-[2-(morpholinomethyl)-4-pyrazin-2-yl-phenoxy]-1-[(4R)-4-phenylazepan-1-yl]ethanone CAS Name: 2-[2-(4-morpholinylmethyl)-4-(2-pyrazinyl)phenoxy]-1-[(4R)-4-phenyl-1-azepanyl]ethanone IUPAC Name: 2-[2-(morpholin-4-ylmethyl)-4-pyrazin-2-ylphenoxy]-1-[(4R)-4-phenylazepan-1-yl]ethanone Traditional Name: 2-[2-(morpholinomethyl)-4-pyrazin-2-yl-phenoxy]-1-[(4R)-4-phenylazepan-1-yl]ethanone Formula: C29H34N4O3 MolecularWeight: 486.60526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)COC2=C(C=C(C=C2)C3=NC=CN=C3)CN4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@H](CCN(C1)C(=O)COC2=C(C=C(C=C2)C3=NC=CN=C3)CN4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O3/c34-29(33-13-4-7-24(10-14-33)23-5-2-1-3-6-23)22-36-28-9-8-25(27-20-30-11-12-31-27)19-26(28)21-32-15-17-35-18-16-32/h1-3,5-6,8-9,11-12,19-20,24H,4,7,10,13-18,21-22H2/t24-/m1/s1